%chk=000280967.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000280967

0 1
S -3.375577 0.297638 0.956957
S 3.274909 0.880314 -0.956903
O -2.532655 1.181192 -0.325310
O 2.291324 1.603130 0.325861
O -4.811049 0.543963 0.782388
O 4.645856 1.371812 -0.781807
N -2.726829 2.538357 0.000508
N 2.246849 2.973624 0.001018
C -1.495589 3.286149 -0.066107
C 0.904431 3.496147 0.067924
C -3.005279 -1.248094 0.162957
C 3.178299 -0.706860 -0.164207
C -2.458290 -3.734406 -0.984479
C 3.070710 -3.251293 0.981135
C -0.233272 2.679169 0.000724
C -1.738841 -1.808919 0.313144
C -4.000098 -1.909755 -0.561295
C 2.028169 -1.478541 -0.314779
C 4.272889 -1.186711 0.559396
C -1.467045 -3.055459 -0.257802
C -3.730439 -3.152928 -1.133729
C 1.976637 -2.753791 0.255113
C 4.222877 -2.458288 1.130780
C -1.625137 4.691018 -0.079919
C 0.787996 4.902155 0.082452
C -0.478440 5.480703 0.001443
C -2.175713 -5.065425 -1.598576
C 3.023203 -4.611666 1.594085
H -0.138346 1.594474 0.000447
H -0.955951 -1.288539 0.868526
H -4.989758 -1.451851 -0.675122
H 1.166819 -1.101232 -0.869646
H 5.168241 -0.564320 0.673561
H -0.474133 -3.498455 -0.137512
H -4.503683 -3.671084 -1.697478
H 1.075504 -3.362056 0.134506
H 5.074349 -2.835072 1.694016
H -2.605091 5.157714 -0.132573
H 1.671995 5.531942 0.135384
H -0.573554 6.567588 0.001722
H -3.432392 2.870054 -0.676267
H 2.884030 3.422344 0.678158
H -2.829295 -5.844541 -1.177972
H -2.353379 -5.050360 -2.684616
H -1.140747 -5.398271 -1.448694
H 3.196963 -4.567127 2.679945
H 3.801081 -5.265697 1.171890
H 2.061153 -5.118247 1.444952


%chk=000280967-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000280967

0 1
S -4.350465 1.194222 0.447451
S 2.338116 -0.252037 -1.135399
O -3.207565 1.936284 -1.364711
O 0.882561 0.177290 0.851839
O -5.941176 1.530550 0.137318
O 2.901311 1.263458 -0.680903
N -2.672442 3.175539 -1.256844
N 1.278857 1.431405 0.994704
C -1.452940 3.402225 -0.596567
C 0.529899 2.536312 0.510301
C -4.111453 -0.548505 -0.148935
C 3.430427 -1.426829 -0.201911
C -3.791580 -3.210682 -1.031905
C 5.104402 -3.230400 1.204720
C -0.690382 2.295777 -0.151249
C -2.864689 -1.185046 0.029149
C -5.200337 -1.205858 -0.755704
C 3.149273 -2.808780 -0.239727
C 4.535789 -0.929070 0.518912
C -2.717713 -2.518344 -0.413461
C -5.032079 -2.533867 -1.193674
C 3.988590 -3.700801 0.465479
C 5.361811 -1.832173 1.217831
C -0.991299 4.734101 -0.386496
C 1.012675 3.854171 0.728901
C 0.239474 4.940941 0.270168
C -3.624655 -4.638587 -1.518949
C 6.006765 -4.189564 1.960505
H -1.034570 1.276569 -0.330100
H -2.020351 -0.672875 0.506044
H -6.148907 -0.667590 -0.867710
H 2.288443 -3.191678 -0.800517
H 4.733802 0.149030 0.513786
H -1.754493 -3.022867 -0.275926
H -5.872215 -3.055902 -1.667626
H 3.770722 -4.775003 0.441219
H 6.224610 -1.449830 1.777348
H -1.586057 5.588199 -0.731048
H 1.975967 4.020028 1.223492
H 0.599605 5.963125 0.426126
H -3.280899 3.967080 -1.503130
H 2.173821 1.606994 1.473066
H -4.419965 -5.295164 -1.120285
H -3.684584 -4.691344 -2.622829
H -2.651631 -5.060913 -1.215643
H 6.047010 -3.938746 3.037088
H 7.044619 -4.148074 1.579445
H 5.657595 -5.232273 1.870558


