%chk=000201670.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000201670

0 1
S 4.363846 -0.862031 1.640224
N -1.406856 0.677683 0.200114
N 2.427427 0.096381 -0.587417
C -4.295453 0.040635 -0.159373
C -5.027768 0.537899 1.111183
C -5.322134 -0.634908 -1.107809
C -3.578649 1.196889 -0.896190
C -3.226404 -1.016366 0.225414
C -6.224087 1.442828 0.790784
C -6.518720 0.269261 -1.428433
C -2.395649 1.764789 -0.099082
C -2.048411 -0.414273 1.004713
C -7.217451 0.747256 -0.148900
C -0.205969 1.222920 0.917900
C 0.743318 1.897935 -0.086501
C 1.295955 0.909716 -1.124956
C 2.131486 -1.144837 0.042551
C 3.716147 0.697858 -0.543147
C 2.992412 -1.730431 0.991471
C 4.709154 0.287655 0.369175
C 0.965671 -1.858942 -0.323526
C 4.049239 1.709517 -1.474329
C 2.745654 -3.000779 1.512534
C 5.993449 0.828990 0.339398
C 0.711885 -3.117380 0.214765
C 5.328377 2.262789 -1.486663
C 1.600647 -3.700648 1.125704
C 6.307130 1.826597 -0.587894
H -4.319430 1.077551 1.766290
H -5.375400 -0.335771 1.694565
H -5.687595 -1.568900 -0.639658
H -4.825466 -0.940932 -2.046521
H -4.295836 2.008552 -1.117270
H -3.212934 0.830695 -1.875533
H -2.838152 -1.489257 -0.698634
H -3.681494 -1.828357 0.819677
H -5.869727 2.385284 0.330387
H -6.732924 1.733781 1.728698
H -7.236954 -0.277111 -2.068260
H -6.184805 1.141493 -2.022308
H -2.764790 2.273722 0.818071
H -1.877176 2.536546 -0.708981
H -1.281030 -1.203044 1.176744
H -2.387721 -0.069941 2.005121
H -7.681872 -0.114059 0.368271
H -8.044935 1.434856 -0.402809
H -0.468523 1.941565 1.723238
H 0.332046 0.382334 1.413274
H 0.214852 2.714409 -0.617608
H 1.573701 2.380535 0.466933
H 1.642796 1.456070 -2.032055
H 0.476775 0.227234 -1.469683
H 0.251998 -1.412697 -1.023322
H 3.307981 2.053067 -2.195625
H 3.440441 -3.446838 2.226754
H 6.753925 0.482115 1.041941
H -0.188570 -3.654985 -0.082546
H 5.567432 3.041610 -2.211021
H 1.401396 -4.689201 1.530114
H 7.304248 2.257971 -0.609655


%chk=000201670-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000201670

0 1
S 3.469426 -1.019107 1.996301
N -1.337546 1.009582 0.158086
N 2.221864 0.016604 -0.597028
C -4.219415 0.148599 0.201085
C -4.960838 0.993130 1.285442
C -5.238191 -0.856161 -0.417528
C -3.594503 1.043637 -0.912351
C -3.054140 -0.662256 0.842548
C -6.249795 1.675212 0.764169
C -6.523050 -0.185702 -0.959233
C -2.393472 1.876277 -0.419846
C -1.866588 0.210476 1.293547
C -7.222935 0.646456 0.141344
C -0.101684 1.756073 0.502261
C 0.765467 2.062516 -0.740336
C 1.243289 0.761701 -1.426190
C 2.066121 -1.393313 -0.416229
C 3.471794 0.632405 -0.281255
C 2.638455 -2.040920 0.714867
C 4.216249 0.214941 0.857762
C 1.362211 -2.197697 -1.354232
C 4.020279 1.666353 -1.089361
C 2.519717 -3.431613 0.902829
C 5.468607 0.781609 1.163865
C 1.207144 -3.585243 -1.145802
C 5.257486 2.262069 -0.762354
C 1.785022 -4.212039 -0.019589
C 5.992015 1.821929 0.360947
H -4.284994 1.755897 1.717150
H -5.234003 0.312206 2.119641
H -5.524991 -1.589017 0.367045
H -4.738994 -1.433415 -1.222567
H -4.348061 1.728226 -1.344772
H -3.243330 0.385608 -1.732651
H -2.677317 -1.393623 0.098881
H -3.433942 -1.238483 1.710542
H -5.992496 2.441771 0.005589
H -6.745539 2.213560 1.595802
H -7.212568 -0.960223 -1.348725
H -6.273638 0.472378 -1.816193
H -2.735608 2.641409 0.326362
H -1.968439 2.436793 -1.273132
H -1.051999 -0.438271 1.666032
H -2.176495 0.868847 2.146131
H -7.585656 -0.037105 0.937463
H -8.113920 1.159440 -0.270674
H -0.331367 2.711010 1.038559
H 0.495711 1.132233 1.193810
H 0.186552 2.648371 -1.480972
H 1.622598 2.691517 -0.436583
H 1.643092 0.969784 -2.440842
H 0.345957 0.130805 -1.534533
H 0.943368 -1.742364 -2.256105
H 3.481094 2.004943 -1.978728
H 2.987887 -3.897146 1.776725
H 6.021762 0.420689 2.037534
H 0.647889 -4.177733 -1.878265
H 5.650465 3.064414 -1.396523
H 1.675031 -5.289690 0.138387
H 6.955467 2.276948 0.612195


