%chk=000104996.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000104996

0 1
S 5.251113 0.890976 0.343004
O -1.988425 2.228250 -2.081111
O -0.172843 1.059608 -1.475413
O 1.736258 -0.705113 0.968409
O 2.897323 -0.678845 -1.017721
O 6.058932 -0.498910 -0.093309
O 5.059970 1.685714 -0.813618
O 5.928296 1.346828 1.523116
N -2.843138 -0.841503 -0.578025
N -1.821203 1.057287 2.074359
N -3.215750 1.412606 0.212161
N -1.604515 -2.058291 1.162731
N -3.332675 -3.123722 -0.036463
N -3.941835 2.261346 2.360097
N 3.763516 0.261335 0.938640
C -2.177515 0.457462 -0.261495
C -1.120084 0.403292 0.918900
C -1.582098 0.954434 -1.638021
C -1.930923 -0.097073 -2.704876
C -2.985464 -1.005207 -2.061030
C -0.586662 -1.005668 1.248595
C -2.520404 -1.986641 0.222407
C -3.048295 1.595743 1.515971
C 0.592941 -1.361500 0.317190
C 2.803333 -0.403095 0.151564
H -0.252246 1.076662 0.652545
H -1.022949 -0.654732 -3.003411
H -2.309344 0.394726 -3.621061
H -4.015414 -0.675414 -2.328024
H -2.872391 -2.062751 -2.373398
H -0.202517 -1.025777 2.310473
H -1.922488 0.467750 2.905539
H 0.483427 -0.974151 -0.715673
H 0.815089 -2.443044 0.309036
H -2.659358 2.656531 -1.487631
H 0.185912 1.802290 -2.022237
H -4.306033 -2.925098 -0.244206
H -3.235602 -3.868914 0.651764
H -3.543392 2.745474 3.156175
H -4.673094 2.791123 1.892675
H 3.529864 0.376061 1.942997
H 6.738585 -0.805349 0.538276


%chk=000104996-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000104996

0 1
S 4.182642 1.202048 -0.723968
O -1.335856 2.238796 -1.750043
O 0.553971 1.422470 -0.543756
O 1.531143 -0.934925 1.496405
O 2.338223 -1.313289 -0.668496
O 4.271562 -0.180368 -1.795001
O 3.200948 2.340794 -1.304257
O 5.618071 1.615027 -0.161050
N -2.043745 -0.852176 -0.678060
N -2.108306 0.978666 2.195194
N -2.845601 1.370510 0.051630
N -2.066286 -2.084036 1.390810
N -3.252916 -2.874362 -0.479296
N -4.113713 2.262552 1.868273
N 3.279344 0.315734 0.715441
C -1.668725 0.443493 -0.079469
C -1.088575 0.279443 1.371645
C -0.705315 1.076975 -1.193325
C -0.553145 -0.008919 -2.289174
C -1.847842 -0.846083 -2.146338
C -0.937964 -1.206526 1.797214
C -2.442410 -1.918623 0.121357
C -3.053345 1.549889 1.355740
C 0.355891 -1.849244 1.233801
C 2.363365 -0.674254 0.446352
H -0.122440 0.803990 1.436655
H 0.328199 -0.637404 -2.076307
H -0.448840 0.462962 -3.278897
H -2.693107 -0.353606 -2.666336
H -1.742832 -1.878497 -2.519591
H -0.879545 -1.240922 2.902157
H -2.303167 0.696814 3.155873
H 0.291625 -2.018822 0.147407
H 0.572689 -2.795966 1.752397
H -2.167728 2.367284 -1.161995
H 1.094171 2.018361 -1.128510
H -3.880516 -2.617234 -1.238206
H -3.462004 -3.701506 0.076921
H -4.109526 2.608149 2.823592
H -4.805582 2.617902 1.213986
H 3.216296 0.851915 1.586641
H 3.438792 -0.812309 -1.497514


