%chk=000116114.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000116114

0 1
S 3.778158 -0.539977 -0.017193
N -3.834910 -0.536533 0.341916
C -1.640322 -1.633840 -0.088485
C 1.337667 -1.698244 -0.153035
C -0.858221 -2.952317 0.083159
C -0.793806 -0.445727 0.404861
C 0.487800 -2.890470 -0.650155
C 0.553320 -0.382046 -0.323784
C -2.980972 -1.717867 0.677255
C 2.665216 -1.666197 -0.919345
C -5.198020 -0.656790 0.951431
C 5.308616 -0.644236 -1.007388
C -6.124904 0.375001 0.355658
C 6.264513 0.273426 -0.318536
C -5.752109 1.727881 0.335276
C -7.369013 -0.010701 -0.163455
C 7.100883 -0.212240 0.699959
C 6.332456 1.627707 -0.684673
C -6.617605 2.684249 -0.200062
C -8.233481 0.951389 -0.694672
C -7.860325 2.298484 -0.714509
C 7.997568 0.647881 1.338659
C 7.231518 2.482097 -0.041672
C 8.066680 1.994841 0.968782
H -1.852286 -1.489420 -1.176122
H 1.540738 -1.851917 0.937646
H -1.451569 -3.802489 -0.300291
H -0.689779 -3.154627 1.158195
H -0.632423 -0.520977 1.496670
H -1.355195 0.497711 0.254376
H 1.037397 -3.837467 -0.496948
H 0.317713 -2.804657 -1.739836
H 0.392988 -0.169578 -1.397174
H 1.144793 0.469528 0.065626
H -2.794100 -1.699126 1.773767
H -3.478089 -2.687814 0.458404
H 3.118176 -2.672190 -0.971915
H 2.525169 -1.316689 -1.956932
H -3.923373 -0.449893 -0.677530
H -5.630663 -1.677775 0.857630
H -5.090639 -0.464833 2.046441
H 5.676933 -1.686369 -1.040568
H 5.113625 -0.340007 -2.052523
H -4.779992 2.022665 0.733788
H -7.667624 -1.056547 -0.154321
H 7.045130 -1.257270 0.999564
H 5.678253 2.015656 -1.463461
H -6.324244 3.732526 -0.215706
H -9.199546 0.648822 -1.094490
H -8.534076 3.045189 -1.128789
H 8.642636 0.267415 2.128892
H 7.279376 3.531564 -0.327502
H 8.765763 2.662298 1.467715


%chk=000116114-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000116114

0 1
S 3.670055 -0.154231 0.065059
N -4.049743 -0.872507 0.017793
C -1.745602 -1.815261 -0.217526
C 1.265030 -1.665973 -0.078620
C -0.878666 -3.078382 0.011540
C -1.011620 -0.561298 0.317449
C 0.529990 -2.928013 -0.608994
C 0.392108 -0.405235 -0.308728
C -3.149871 -1.980547 0.403189
C 2.657085 -1.555338 -0.728092
C -5.395046 -0.922276 0.628332
C 5.367082 -0.585395 -0.711687
C -6.230726 0.302973 0.271923
C 6.425698 0.366577 -0.208487
C -5.639752 1.592262 0.234700
C -7.615345 0.177692 -0.002302
C 7.118858 0.100880 1.001099
C 6.738507 1.548410 -0.928451
C -6.420117 2.731281 -0.062530
C -8.399952 1.317080 -0.296132
C -7.804235 2.598874 -0.326706
C 8.106469 0.991397 1.476897
C 7.725944 2.441288 -0.455186
C 8.414087 2.164793 0.749066
H -1.870861 -1.691967 -1.318732
H 1.405890 -1.791076 1.016928
H -1.382844 -3.969034 -0.414603
H -0.781722 -3.256752 1.103595
H -0.912834 -0.652349 1.420478
H -1.628357 0.336253 0.128601
H 1.133958 -3.832921 -0.397083
H 0.436929 -2.854234 -1.713572
H 0.296130 -0.232447 -1.402296
H 0.897469 0.486738 0.108399
H -3.063268 -1.979143 1.509695
H -3.557811 -2.984822 0.116526
H 3.228130 -2.491539 -0.581561
H 2.572141 -1.350910 -1.811981
H -4.106666 -0.768607 -1.005541
H -5.968087 -1.845510 0.359299
H -5.249563 -0.963963 1.728430
H 5.590212 -1.628791 -0.428366
H 5.250044 -0.521556 -1.806948
H -4.566112 1.679795 0.432876
H -8.081986 -0.815594 0.012747
H 6.877969 -0.804930 1.570582
H 6.203241 1.768379 -1.860097
H -5.951282 3.721919 -0.087300
H -9.469791 1.203984 -0.506170
H -8.409610 3.482887 -0.557407
H 8.635063 0.771665 2.411384
H 7.958186 3.349057 -1.023468
H 9.180992 2.855918 1.116578


