%chk=000139906.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000139906

0 1
 S    3.079100     -0.3571000      0.3064000    
 P    1.123100     -0.1661000      0.1507000    
 N   0.4826000      0.2078000      -1.357800    
 N   0.3925000      0.9703000       1.156300    
 N   0.2133000      -1.531400      0.5535000    
 C   -1.618800      6.6000000E-02 -1.3300000E-02
 C  -0.9792000      0.4131000      -1.394600    
 C   -1.076700       1.068200       1.048800    
 C   -1.246900      -1.392200      0.3790000    
 C   -3.145000      0.1980000     -0.1093000    
 C    1.153700       1.112800      -2.281900    
 C   0.9807000       2.283700       1.391400    
 C   0.6417000      -2.873000      0.1706000    
 H   -1.403500     -0.2208000      -2.182300    
 H   -1.223800       1.455100      -1.640200    
 H   -1.385900       2.082400      0.7628000    
 H   -1.515700      0.8571000       2.031000    
 H   -1.739600      -1.673800       1.317000    
 H   -1.617300      -2.066800     -0.4046000    
 H   -3.555000     -0.4909000     -0.8560000    
 H   -3.621400     -2.7500000E-02  0.8512000    
 H   -3.437500       1.214000     -0.3969000    
 H    2.191000      0.8049000      -2.440900    
 H    1.155000       2.139000      -1.901900    
 H   0.6719000       1.102300      -3.265900    
 H    2.026200       2.192800       1.698700    
 H   0.4636000       2.808600       2.202300    
 H   0.9416000       2.902900      0.4900000    
 H    1.657400      -3.072400      0.5231000    
 H   0.6245000      -2.997200     -0.9171000    
 H   1.3000000E-03  -3.637900      0.6240000    


%chk=000139906-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000139906

0 1
S 3.178316 -0.077061 -0.022051
P 1.111772 0.034579 -0.075882
N 0.343443 0.216754 -1.664123
N 0.340393 1.364951 0.809703
N 0.199938 -1.346172 0.566898
C -1.663966 0.184491 -0.149397
C -1.081075 0.624749 -1.531968
C -1.120130 1.128841 0.971559
C -1.228805 -1.286571 0.152891
C -3.204048 0.267440 -0.190051
C 1.080373 0.798883 -2.795307
C 1.021096 1.998186 1.948653
C 0.803352 -2.686546 0.611790
H -1.659114 0.152637 -2.352840
H -1.190013 1.731230 -1.626005
H -1.640083 2.107783 0.926954
H -1.342704 0.665309 1.961870
H -1.848373 -1.703543 0.973161
H -1.406489 -1.902228 -0.760461
H -3.625490 -0.513390 -0.849457
H -3.634023 0.128970 0.818939
H -3.537419 1.250281 -0.570651
H 2.140990 0.501237 -2.731605
H 1.027141 1.910390 -2.816859
H 0.661938 0.409026 -3.742932
H 2.105166 2.040253 1.747200
H 0.861449 1.451052 2.904717
H 0.645480 3.032268 2.068932
H 1.877162 -2.594535 0.848704
H 0.700022 -3.239184 -0.348812
H 0.316602 -3.278179 1.410528


