%chk=000232715.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000232715

0 1
S -2.955656 2.141925 -0.577659
N 2.210625 0.637814 0.186949
N -0.557851 1.441739 0.413889
C 1.370877 0.862309 -1.038059
C 1.356039 0.144852 1.315134
C 0.293601 1.918827 -0.725900
C 0.292512 1.215457 1.632011
C 3.352628 -0.218791 -0.100681
C -1.666512 2.378445 0.702605
C 4.554918 0.411814 -0.507442
C 3.310162 -1.615217 0.045077
C 5.684499 -0.382348 -0.752817
C 4.644375 1.892187 -0.685108
C 4.449024 -2.386308 -0.197241
C 5.636584 -1.770109 -0.597633
C -3.711133 0.602309 -0.187660
C -5.095325 0.591590 0.004478
C -2.966250 -0.577572 -0.140116
C -5.009180 -1.818916 0.296773
C -5.744217 -0.622432 0.241003
C -3.617539 -1.788419 0.107646
C -5.707103 -3.117765 0.539282
H 0.890019 -0.073570 -1.398354
H 2.029167 1.230864 -1.853515
H 2.006510 -0.009865 2.202767
H 0.854344 -0.822735 1.092993
H 0.776719 2.898305 -0.519037
H -0.356511 2.048936 -1.620271
H -0.359281 0.848533 2.453324
H 0.790581 2.143745 1.987106
H -1.404582 3.457420 0.658864
H -2.100605 2.172812 1.703273
H 2.386113 -2.106329 0.344566
H 6.614366 0.090449 -1.065633
H 5.652488 2.276162 -0.488007
H 4.371034 2.182914 -1.708545
H 3.954805 2.421818 -0.006237
H 4.407255 -3.466866 -0.077106
H 6.524964 -2.368296 -0.789146
H -5.670109 1.517943 -0.029631
H -1.881821 -0.553301 -0.287476
H -6.822216 -0.638881 0.383960
H -3.042584 -2.710594 0.148030
H -5.065708 -3.847910 1.050352
H -6.609765 -2.998968 1.153208
H -6.020260 -3.571975 -0.413015


%chk=000232715-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000232715

0 1
S -2.953140 2.290789 -0.465298
N 2.242641 0.404980 0.171369
N -0.451163 1.367983 0.510324
C 1.426847 0.817248 -1.001772
C 1.383973 -0.127675 1.249638
C 0.393488 1.877927 -0.593185
C 0.359009 0.939170 1.677788
C 3.490293 -0.255220 -0.085304
C -1.571621 2.238416 0.854496
C 4.562917 0.460369 -0.715598
C 3.704063 -1.601360 0.326922
C 5.785546 -0.217261 -0.941279
C 4.441119 1.930647 -1.075480
C 4.938026 -2.247409 0.103912
C 5.985392 -1.559431 -0.546390
C -3.826297 0.698489 -0.147959
C -5.241530 0.698359 -0.173956
C -3.127338 -0.511646 0.076574
C -5.268743 -1.731435 0.257246
C -5.948909 -0.509043 0.018780
C -3.850238 -1.706067 0.292014
C -6.035715 -3.029978 0.440939
H 0.890677 -0.063942 -1.425987
H 2.082430 1.221139 -1.788150
H 2.016273 -0.392809 2.115273
H 0.826823 -1.040967 0.927346
H 0.926935 2.815320 -0.295104
H -0.266162 2.108639 -1.449867
H -0.317261 0.511159 2.441595
H 0.908490 1.796896 2.137511
H -1.297929 3.313946 0.952144
H -2.034564 1.893747 1.793480
H 2.892459 -2.155512 0.809514
H 6.608313 0.334449 -1.413607
H 5.427608 2.424115 -1.027586
H 4.053027 2.087518 -2.101719
H 3.752952 2.442817 -0.379036
H 5.074279 -3.285814 0.427288
H 6.946974 -2.051286 -0.728852
H -5.784140 1.636907 -0.330963
H -2.031929 -0.501136 0.080997
H -7.045667 -0.496453 -0.004201
H -3.300142 -2.638011 0.474237
H -5.483922 -3.740446 1.081597
H -7.025386 -2.854718 0.898810
H -6.208754 -3.531408 -0.531499


