%chk=000163497.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000163497

0 1
 S   -2.069700       1.774900     -2.7700000E-02
 O   -1.950900      -2.607600     -9.3000000E-03
 N  -0.7414000     -0.6088000     -7.7000000E-03
 N   0.4874000       1.456600     -1.5300000E-02
 C   0.4918000      -1.406300     -1.5600000E-02
 C    1.762600     -0.6200000     -3.0000000E-03
 C    1.708200      0.7739000     -4.8000002E-03
 C  -0.6268000      0.7923000     -1.5000000E-02
 C   -1.922100      -1.374300     -1.3000000E-03
 C    3.002400      -1.272300      7.1999999E-03
 C   -3.381400      0.6631000      9.6000005E-03
 C    2.900100       1.508000      4.4000000E-03
 C   -3.216400     -0.6616000      1.8200001E-02
 C    4.184900     -0.5346000      1.6400000E-02
 C    4.133800      0.8567000      1.5000000E-02
 C   -4.762500       1.260000      2.8999999E-02
 H   0.4654000      -2.040900     -0.9107000    
 H   0.4628000      -2.064700      0.8620000    
 H    3.050300      -2.358200      7.7000000E-03
 H   -4.088500      -1.311700      3.9000001E-02
 H    2.873300       2.595000      3.3000000E-03
 H    5.143900      -1.044100      2.4300000E-02
 H    5.053100       1.434900      2.2000000E-02
 H   -4.931500       1.872900     -0.8633000    
 H   -4.898700       1.890200      0.9149000    
 H   -5.545000      0.4933000      5.0900001E-02


%chk=000163497-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000163497

0 1
S -2.117736 1.864214 -0.005192
O -1.858251 -2.638638 0.010633
N -0.743433 -0.602264 0.000528
N 0.503253 1.479159 -0.004546
C 0.502364 -1.450385 -0.014619
C 1.786923 -0.636780 -0.003439
C 1.742309 0.784469 -0.000987
C -0.610010 0.803366 -0.002836
C -1.949497 -1.370413 0.011219
C 3.036125 -1.290168 0.001477
C -3.471468 0.655980 0.013409
C 2.943885 1.533973 0.005929
C -3.249228 -0.690724 0.021036
C 4.237855 -0.543033 0.008223
C 4.189256 0.871518 0.010352
C -4.839068 1.293898 0.019316
H 0.448652 -2.103919 -0.906353
H 0.450229 -2.131051 0.856168
H 3.076210 -2.386869 0.000028
H -4.099170 -1.380582 0.032255
H 2.870671 2.625737 0.007819
H 5.202610 -1.061557 0.011897
H 5.117552 1.453129 0.015591
H -4.987048 1.929931 -0.873408
H -4.975118 1.938939 0.907414
H -5.622765 0.518770 0.028286


