%chk=000217532.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000217532

0 1
S -7.610832 0.805668 -0.121463
N -3.697013 -0.262289 0.285141
C 2.612774 -0.204488 -0.264426
C 1.284063 -0.908873 0.129903
C 2.670996 1.223618 0.321862
C 3.843276 -0.999476 0.221278
C 3.968101 1.938104 -0.078283
C 5.150752 -0.295770 -0.169696
C 5.200178 1.140014 0.370162
C 0.071727 -0.132741 -0.434936
C 1.249592 -2.359146 -0.370607
C -1.239122 -0.537315 0.248772
C -2.431730 0.228997 -0.345667
C -4.883482 0.535155 -0.162620
C -6.136010 -0.095482 0.440728
H 2.657608 -0.134095 -1.377388
H 1.213781 -0.919818 1.244821
H 1.796234 1.809826 -0.023048
H 2.593427 1.179230 1.424474
H 3.798662 -1.126050 1.319042
H 3.833988 -2.018866 -0.207073
H 3.994648 2.082816 -1.175226
H 3.992068 2.950576 0.365352
H 6.014012 -0.871674 0.212151
H 5.253448 -0.283916 -1.271746
H 5.251985 1.122199 1.475542
H 6.123024 1.642374 0.026962
H -0.000321 -0.299956 -1.526432
H 0.233861 0.958252 -0.310532
H 0.271933 -2.818954 -0.181904
H 1.434600 -2.420748 -1.448341
H 2.000689 -2.978529 0.130749
H -1.408413 -1.628693 0.135097
H -1.169521 -0.357903 1.338405
H -2.281826 1.323890 -0.227929
H -2.500755 0.030861 -1.438837
H -3.615243 -0.212556 1.306853
H -4.924211 0.492864 -1.274909
H -4.815775 1.612166 0.110391
H -6.202997 -1.171437 0.185410
H -6.132104 -0.042059 1.547448
H -7.656772 0.388927 -1.403680


%chk=000217532-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000217532

0 1
S -7.840941 0.609053 -0.227031
N -3.749001 -0.090863 0.336475
C 2.623625 -0.155392 -0.228155
C 1.287542 -0.863432 0.182012
C 2.791030 1.211360 0.495562
C 3.886195 -1.020984 0.034765
C 4.087232 1.948886 0.082857
C 5.191145 -0.295257 -0.373660
C 5.334611 1.070857 0.334303
C 0.052266 -0.124526 -0.414376
C 1.249902 -2.358155 -0.225516
C -1.284275 -0.451426 0.290760
C -2.490279 0.247516 -0.366763
C -4.975034 0.500092 -0.240662
C -6.215807 -0.138354 0.405953
H 2.576167 0.039495 -1.324968
H 1.214332 -0.809673 1.291994
H 1.918629 1.865035 0.304483
H 2.814593 1.025234 1.591107
H 3.929966 -1.275194 1.116077
H 3.818750 -1.977584 -0.515674
H 4.034280 2.206349 -0.995658
H 4.170906 2.905052 0.635941
H 6.065369 -0.937748 -0.149618
H 5.186017 -0.134955 -1.472371
H 5.449589 0.906049 1.426048
H 6.249741 1.590541 -0.010913
H -0.026980 -0.386749 -1.491320
H 0.209001 0.971317 -0.373104
H 0.258224 -2.799675 -0.019030
H 1.450579 -2.474192 -1.308710
H 1.995362 -2.958576 0.324163
H -1.477764 -1.540334 0.290265
H -1.215477 -0.141611 1.355929
H -2.300301 1.350814 -0.408642
H -2.584789 -0.096538 -1.416331
H -3.674113 0.104895 1.345406
H -4.975763 0.282145 -1.326997
H -5.037313 1.610729 -0.137309
H -6.225316 -1.227304 0.242902
H -6.244038 0.051738 1.493521
H -7.718562 0.146066 -1.527913


