%chk=000201407.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000201407

0 1
S -2.556201 -1.714645 0.369126
P -1.379180 -0.520361 -0.487459
P 1.283042 0.667682 0.598081
O -0.012802 -0.360778 0.414464
O -0.756420 -0.880974 -1.968147
O -1.850740 0.992041 -0.886566
O 2.020943 -0.020050 1.866674
O 2.249131 0.213926 -0.645231
O 0.902157 2.076271 0.727336
C -0.846153 -2.269148 -2.375342
C -2.209512 1.867432 0.217952
C 2.208626 -1.460545 1.775192
C 1.932669 0.833453 -1.917646
H -1.888416 -2.613082 -2.421265
H -0.235805 -2.910077 -1.727355
H -0.417843 -2.234704 -3.388777
H -2.837327 2.620155 -0.282474
H -1.291765 2.347045 0.606462
H -2.780766 1.364133 1.004983
H 2.841819 -1.719091 0.917458
H 1.237482 -1.974901 1.744746
H 2.728625 -1.681832 2.718979
H 2.871199 0.730016 -2.480766
H 1.668220 1.894811 -1.819146
H 1.131918 0.255822 -2.407779


%chk=000201407-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000201407

0 1
S -3.073100 -1.543215 0.352739
P -1.503933 -0.526707 -0.488787
P 1.231880 0.582882 0.738091
O -0.101904 -0.544518 0.551003
O -0.866719 -1.057211 -2.001169
O -1.651038 1.112377 -0.976229
O 2.120192 -0.213661 1.943827
O 2.224298 0.328403 -0.644367
O 0.813689 2.069718 1.076052
C -0.881911 -2.508386 -2.300402
C -2.250186 2.100092 -0.031157
C 2.490433 -1.644686 1.788521
C 1.914072 1.071965 -1.898875
H -1.880103 -2.939374 -2.104248
H -0.115544 -3.033610 -1.703765
H -0.641664 -2.568696 -3.371743
H -2.534685 2.945774 -0.673526
H -1.485612 2.404651 0.702974
H -3.144127 1.675347 0.460462
H 3.122660 -1.781728 0.894919
H 1.580892 -2.265366 1.727389
H 3.055828 -1.873290 2.703297
H 2.799176 0.915527 -2.532319
H 1.778029 2.146013 -1.684578
H 1.012279 0.650298 -2.374609


