%chk=000227001.chk
%nprocshared=4
%mem=7500MB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000227001

0 1
 S   -1.828300      -2.580700     -8.7200001E-02
 O   -2.018700      -2.898800      -1.489300    
 O   -1.929100      -3.615800      0.9232000    
 O    3.973200      0.7919000      -1.614800    
 N   -2.854400      -1.284200      0.3278000    
 N   -2.734200     -9.2600003E-02 -0.4947000    
 N    3.525500     -0.1030000      0.5199000    
 C   -1.877500       3.168300      0.8752000    
 C   -3.201500       3.315100      0.1143000    
 C  -0.6118000       3.155200      1.5200000E-02
 C   -3.521100       2.174800     -0.8494000    
 C   0.6731000       3.087900      0.8250000    
 C   -3.533900      0.8530000     -0.1329000    
 C  -0.2315000      -1.842200      9.3500003E-02
 C   0.4067000      -1.907400       1.319300    
 C   0.3483000      -1.213500     -0.9941000    
 C    2.266400     -0.6865000      0.3768000    
 C    1.665900      -1.324700       1.462200    
 C    1.607600     -0.6310000     -0.8513000    
 C    4.279500      0.5756000     -0.4469000    
 C    5.595900       1.058700      0.1084000    
 H   -1.805900       4.008300       1.578500    
 H   -1.902900       2.262900       1.493700    
 H   -3.195900       4.259600     -0.4428000    
 H   -4.009300       3.392100      0.8533000    
 H  -0.6365000       2.296100     -0.6644000    
 H  -0.5897000       4.055400     -0.6104000    
 H   -4.517500       2.329600      -1.277300    
 H   -2.802400       2.145600      -1.674700    
 H    1.542200       3.069900      0.1599000    
 H   0.6977000       2.184400       1.442300    
 H   0.7654000       3.956700       1.484100    
 H   -4.250200      0.7378000      0.7001000    
 H  -4.7200002E-02  -2.391900       2.178100    
 H  -0.1523000      -1.155100      -1.955800    
 H   -3.186800      -1.173600       1.293500    
 H    2.166900      -1.373400       2.425800    
 H    2.006800     -0.1532000      -1.734900    
 H    3.939700     -0.1857000       1.446000    
 H    6.171700      0.2109000      0.4901000    
 H    6.172000       1.551800     -0.6795000    
 H    5.415400       1.772300      0.9171000    


%chk=000227001-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000227001

0 1
S -1.828423 -2.588869 -0.047589
O -2.157176 -2.782992 -1.627776
O -2.032407 -3.793778 1.026316
O 4.056510 1.011251 -1.388171
N -2.864886 -1.163106 0.736198
N -2.863951 -0.052404 -0.082268
N 3.699438 -0.169687 0.610982
C -1.908635 3.277571 0.759146
C -3.295296 3.384831 0.077739
C -0.721561 3.131711 -0.222602
C -3.688689 2.141538 -0.778482
C 0.644914 3.141793 0.496955
C -3.780406 0.878225 0.038917
C -0.121974 -1.849017 0.125319
C 0.560559 -2.042834 1.337465
C 0.411828 -1.130722 -0.955217
C 2.409485 -0.723758 0.397566
C 1.840733 -1.475889 1.465537
C 1.693013 -0.558840 -0.820807
C 4.453805 0.645604 -0.244952
C 5.811589 1.064831 0.311086
H -1.752345 4.183861 1.380210
H -1.902889 2.415140 1.456200
H -3.314093 4.274297 -0.584032
H -4.072316 3.551181 0.851949
H -0.822832 2.184642 -0.786568
H -0.757988 3.953918 -0.966892
H -4.671695 2.336181 -1.252550
H -2.953763 1.987261 -1.587159
H 1.478265 3.012416 -0.218315
H 0.702668 2.318188 1.234300
H 0.803258 4.093445 1.039755
H -4.605796 0.799638 0.776054
H 0.106856 -2.626387 2.144370
H -0.158291 -1.026137 -1.883013
H -3.772934 -1.579737 1.041019
H 2.399509 -1.612109 2.399708
H 2.141512 0.016225 -1.631947
H 4.125315 -0.386753 1.514777
H 6.021170 0.684411 1.325759
H 6.602251 0.708712 -0.371592
H 5.866969 2.166752 0.325504


