%chk=000074717.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000074717

0 1
 S   -3.577700       1.058500     -1.6899999E-02
 S   -5.166200     -0.3068000      1.1100000E-02
 O   -6.499100      0.6315000      4.9999999E-03
 O   -5.130500      -1.039800      -1.239800    
 O   -5.116700      -1.003500       1.282100    
 N   0.3107000     -9.8300003E-02 -2.2100000E-02
 C    4.099800      0.4538000      3.3000000E-03
 C    2.753800     -0.2777000     -8.8000000E-03
 C    5.304900     -0.4889000     -2.8200001E-02
 C    1.552800      0.6674000     -3.5999999E-03
 C    6.618500      0.2894000      5.8800001E-02
 C  -0.8444000      0.7876000     -2.7799999E-02
 C    7.821200     -0.6386000     -4.0000002E-03
 C   -2.127100     -3.4499999E-02 -9.2000002E-03
 H    4.149400       1.130700     -0.8587000    
 H    4.153700       1.081200      0.9018000    
 H    2.703400     -0.9409000      0.8645000    
 H    2.707700     -0.9211000     -0.8971000    
 H    5.282200      -1.079300     -0.9521000    
 H    5.240900      -1.194800      0.8086000    
 H    1.596400       1.302800      0.8893000    
 H    1.606500       1.318600     -0.8842000    
 H    6.679100       1.010800     -0.7644000    
 H    6.652300      0.8603000      0.9940000    
 H   0.2732000     -0.7113000      0.7920000    
 H  -0.8143000       1.446500      0.8494000    
 H  -0.8212000       1.416100     -0.9269000    
 H    8.749000     -6.1600000E-02  6.0600001E-02
 H    7.807800      -1.354500      0.8242000    
 H    7.834900      -1.200100     -0.9436000    
 H   -2.170200     -0.6632000      0.8869000    
 H   -2.177600     -0.6891000     -0.8860000    
 H   -6.570600       1.267900      0.7548000    


%chk=000074717-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000074717

0 1
S -3.887410 1.054910 1.009144
S -4.183513 -0.015440 -1.232779
O -5.942098 -0.587305 -1.113489
O -4.217498 1.013673 -2.464594
O -3.203475 -1.311346 -1.263226
N 0.209531 0.377631 1.000064
C 3.882581 0.393820 -0.221285
C 2.622358 -0.050370 0.554543
C 5.121537 -0.475438 0.091263
C 1.397741 0.836020 0.255380
C 6.381057 -0.045122 -0.694894
C -1.058911 1.077108 0.753000
C 7.616547 -0.913105 -0.372305
C -2.222095 0.239781 1.308405
H 3.675473 0.355170 -1.310919
H 4.110996 1.454056 0.015757
H 2.838502 -0.025883 1.644370
H 2.371686 -1.098993 0.302913
H 4.893033 -1.537232 -0.137457
H 5.337480 -0.431103 1.179522
H 1.649641 1.902337 0.480894
H 1.158444 0.789695 -0.825444
H 6.166307 -0.094766 -1.781887
H 6.605153 1.017911 -0.470748
H 0.398395 0.190856 1.993463
H -1.101299 2.105048 1.189669
H -1.178140 1.190434 -0.340830
H 8.503309 -0.584692 -0.944828
H 7.869447 -0.858552 0.703534
H 7.429642 -1.975412 -0.618704
H -2.155771 0.121886 2.407209
H -2.234949 -0.770345 0.854180
H -5.971098 -1.326129 -0.436922


