%chk=000191521.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000191521

0 1
S 2.822757 1.316834 0.051091
O 3.616063 -3.022439 -1.198205
O 3.206388 1.039341 -1.320558
O 3.710163 2.022874 0.950875
O 4.432060 -2.428724 0.830674
N 2.582897 -0.224255 0.800224
N -3.879072 0.245160 -0.574722
N -5.283304 -1.739522 -0.926230
N -6.063598 0.466216 -1.429681
C 2.339451 -1.408695 -0.029873
C 1.162739 -2.252036 0.516874
C -0.161189 -1.606079 0.219756
C 1.260230 2.021038 0.076924
C 3.593252 -2.306622 -0.027434
C -0.794395 -0.808775 1.187706
C -0.778422 -1.798828 -1.024911
C 0.386027 1.815951 -1.000099
C 0.841006 2.774205 1.179144
C -2.035935 -0.231190 0.930671
C -2.020097 -1.223986 -1.298029
C -1.340127 3.066195 0.158635
C -0.904376 2.335638 -0.963366
C -0.451412 3.296683 1.223461
C -2.657235 -0.439439 -0.316814
C -2.742020 3.568511 0.207097
C 4.753979 -3.900379 -1.415704
C -4.984471 -0.347495 -0.961548
H 2.124184 -1.106642 -1.097214
H 1.284818 -2.406608 1.609798
H 1.199141 -3.268741 0.068814
H 3.068708 -0.432560 1.684224
H -0.305036 -0.632757 2.146125
H -0.286538 -2.400884 -1.788738
H 0.717751 1.245641 -1.874736
H 1.530032 2.958671 2.010744
H -2.523701 0.390873 1.679785
H -2.477338 -1.358534 -2.274664
H -1.592677 2.151523 -1.788218
H -0.771739 3.877781 2.085252
H -2.956142 4.250623 -0.627809
H -2.982922 4.099634 1.135272
H -3.451400 2.722816 0.117056
H 5.607322 -3.285803 -1.720803
H 4.408970 -4.549980 -2.226120
H 4.984750 -4.461999 -0.504534
H -4.486020 -2.363236 -0.853754
H -5.977659 -2.084167 -1.577731
H -6.976025 0.226238 -1.053842
H -5.889634 1.466827 -1.338468


%chk=000191521-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000191521

0 1
S 2.772849 1.281358 -0.100449
O 3.738437 -3.281369 -1.047816
O 3.039777 0.941065 -1.679156
O 3.840957 2.096533 0.818471
O 4.627670 -2.150297 0.784416
N 2.481842 -0.351385 0.812495
N -3.894131 0.275655 -0.462683
N -5.237437 -1.644072 -1.068785
N -6.061029 0.545456 -1.308134
C 2.395617 -1.522181 -0.086938
C 1.185982 -2.439765 0.318825
C -0.159889 -1.767414 0.118100
C 1.097587 2.114808 0.012727
C 3.708118 -2.318880 -0.050597
C -0.758715 -0.994613 1.146633
C -0.848170 -1.873148 -1.117805
C 0.205598 1.948554 -1.057985
C 0.797907 2.851684 1.167407
C -1.999708 -0.356814 0.953509
C -2.093167 -1.240103 -1.322145
C -1.443803 3.260408 0.220873
C -1.071747 2.530594 -0.939441
C -0.488943 3.429700 1.257160
C -2.695059 -0.466938 -0.282945
C -2.853751 3.802216 0.349024
C 4.966528 -4.116736 -1.104662
C -4.997414 -0.275402 -0.931342
H 2.248183 -1.177290 -1.130005
H 1.322600 -2.730974 1.376596
H 1.257327 -3.355029 -0.297447
H 3.308956 -0.422178 1.445847
H -0.231320 -0.877203 2.099689
H -0.403373 -2.457279 -1.934518
H 0.500326 1.379969 -1.945234
H 1.543070 2.975253 1.959676
H -2.445375 0.253644 1.745776
H -2.590039 -1.310630 -2.297415
H -1.804698 2.385671 -1.740323
H -0.756406 4.005858 2.150312
H -3.096574 4.494964 -0.478569
H -3.002287 4.342408 1.299541
H -3.572963 2.961591 0.301954
H 5.845273 -3.477627 -1.290583
H 4.794296 -4.809962 -1.939197
H 5.102466 -4.658054 -0.153646
H -4.515942 -2.292974 -0.761431
H -5.982851 -1.995419 -1.664417
H -7.020220 0.208395 -1.258396
H -5.896153 1.546851 -1.230569


