Dear Boykin,
I think it is a not a proper place to ask the Gaussian related questions.
Please ask the gaussian related questions on CCL.net or help.gaussian.com.
Anyways, 'N' in route line i.e line starting with # tells you the nature
of output which should be normal or tradition, if it is #T then it is
terse output and if it is #P then it means detailed output.
Again I shall suggest you to ask amber related questions only since it is a
amber forum.
On Mon, Oct 27, 2014 at 9:14 PM, Brittany Boykin <
bzb0031.tigermail.auburn.edu> wrote:
> Hello,
>
> I am having a problem running g03. Below is my .gjf file. Also, what is
> the meaning of N? Could someone please stir me in the right direction?
>
>
> $RunGauss
> #N opt=calcfc mp2/6-31g(d)
> %mem=500MB
> %nprocshared=1
> %chk=mp2-test.chk
>
> mp2-test
>
> C
> C 1 R1
> C 1 R2 2 X1
> H 1 R3 3 X2 2 -178.5970
> C 2 R4 1 X3 3 -0.637230
> O 2 R5 1 X4 3 178.5684
> C 5 R6 2 X5 1 -178.5670
> C 5 R7 2 X6 1 1.886733
> H 7 R8 5 X7 2 19.23792
> H 7 R9 5 X8 2 -100.9450
> H 7 R10 5 X9 2 138.0981
> C 8 R11 5 X10 2 178.9209
> C 3 R12 1 X11 2 -0.871030
> H 12 R13 8 X12 5 -42.86010
> H 12 R14 8 X13 5 -162.1270
> H 12 R15 8 X14 5 77.08127
> S 13 R16 3 X15 1 -179.1170
> H 3 R17 1 X16 2 179.3012
> C 17 R18 13 X17 3 104.7100
> C 19 R19 17 X18 13 157.2599
> C 19 R20 17 X19 13 -22.21020
> C 20 R21 19 X20 17 -179.7690
> O 20 R22 19 X21 17 0.284984
> C 22 R23 20 X22 19 0.504370
> H 22 R24 20 X23 19 -178.7270
> C 24 R25 22 X24 20 -179.7877
> C 21 R26 19 X25 17 179.4297
> O 26 R27 24 X26 22 -144.4983
> H 26 R28 24 X27 22 97.39339
> H 26 R29 24 X28 22 -18.42205
> C 28 R30 26 X29 24 77.36979
> C 31 R31 28 X30 26 -8.986863
> C 31 R32 28 X31 26 171.2836
> C 32 R33 31 X32 28 179.7161
> H 32 R34 31 X33 28 -1.520578
> C 34 R35 32 X34 31 -0.308032
> H 34 R36 32 X35 31 179.1862
> C 36 R37 34 X36 32 179.6366
> C 33 R38 31 X37 28 -179.5780
> F 38 R39 36 X38 34 -89.24833
> F 38 R40 36 X39 34 151.0115
> F 38 R41 36 X40 34 30.49958
> H 39 R42 33 X41 31 -179.6627
> H 33 R43 31 X42 28 0.560634
> H 27 R44 21 X43 19 -179.4657
> H 21 R45 19 X44 17 -0.059539
> C 23 R46 20 X45 19 -164.0715
> C 47 R47 23 X46 20 -78.98330
> H 47 R48 23 X47 20 163.3696
> H 47 R49 23 X48 20 46.30095
> C 48 R50 47 X49 23 14.02261
> H 51 R51 48 X50 47 -28.32245
> C 6 R52 2 X51 1 -11.26273
> C 53 R53 6 X52 2 81.48875
> H 53 R54 6 X53 2 -45.84617
> H 53 R55 6 X54 2 -161.5114
> O 54 R56 53 X55 6 48.99229
> O 54 R57 53 X56 6 -131.2048
>
>
> R1 1.40381231
> R2 1.40381231 X1 120.7614
> R3 1.07996667 X2 118.3610
> R4 1.41835609 X3 118.7863
> R5 1.38149882 X4 123.4252
> R6 1.52438381 X5 119.1031
> R7 1.42108832 X6 120.7454
> R8 1.08979677 X7 111.9410
> R9 1.08901515 X8 110.1013
> R10 1.08927178 X9 111.1465
> R11 1.52377000 X10 119.8520
> R12 1.40611557 X11 120.4051
> R13 1.09002844 X12 110.7394
> R14 1.08725802 X13 113.2655
> R15 1.08959901 X14 109.7572
> R16 1.77040927 X15 117.8332
> R17 1.07933359 X16 119.4715
> R18 1.77316130 X17 106.0927
> R19 1.41321690 X18 119.3990
> R20 1.41052792 X19 120.1863
> R21 1.41751508 X20 118.7663
> R22 1.38070634 X21 117.5260
> R23 1.41020318 X22 120.8696
> R24 1.07833854 X23 120.6026
> R25 1.52016249 X24 120.0486
> R26 1.40618527 X25 120.2391
> R27 1.42528944 X26 112.9707
> R28 1.09043982 X27 107.0577
> R29 1.09135054 X28 111.9394
> R30 1.37922369 X29 119.2656
> R31 1.41695801 X30 124.5892
> R32 1.40802415 X31 116.7721
> R33 1.40876009 X32 120.5224
> R34 1.07878543 X33 121.3061
> R35 1.40972728 X34 120.4267
> R36 1.07992268 X35 119.5926
> R37 1.52133165 X36 120.3981
> R38 1.40846477 X37 120.9659
> R39 1.35969703 X38 109.2121
> R40 1.36192731 X39 110.6821
> R41 1.36187151 X40 110.6179
> R42 1.07995694 X41 119.7057
> R43 1.08052811 X42 119.1838
> R44 1.08156969 X43 119.6084
> R45 1.07991990 X44 120.2539
> R46 1.42088036 X45 118.9769
> R47 1.47316055 X46 112.5167
> R48 1.08991101 X47 107.7103
> R49 1.09083821 X48 111.6376
> R50 1.21032144 X49 179.8984
> R51 1.08011897 X50 179.7429
> R52 1.42871901 X51 119.5588
> R53 1.52909418 X52 114.3251
> R54 1.09010366 X53 111.7110
> R55 1.08890541 X54 107.2045
> R56 1.24961194 X55 117.7024
> R57 1.25946417 X56 116.4592
>
>
> Thank you and have a great day.
>
> Kind Regards,
>
>
>
>
> Brittany Boykin
> Graduate Student
> Auburn University
> Department of Chemistry and Biochemistry
> e: bzb0031.tigermail.auburn.edu
> c: (404)545.1036
> _______________________________________________
> AMBER mailing list
> AMBER.ambermd.org
> http://lists.ambermd.org/mailman/listinfo/amber
>
--
With best regards
************************************************************************************************
Dr. Kshatresh Dutta Dubey
Post Doctoral Researcher,
c/o Prof Sason Shaik,
Hebrew University of Jerusalem, Israel
Jerusalem, Israel
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Received on Mon Oct 27 2014 - 13:30:04 PDT
