%chk=000073004.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000073004

0 1
 S   -2.311900      0.4100000      7.8100003E-02
 S    3.861500      0.7066000     -0.2499000    
 O   -2.654900      0.9743000       1.371100    
 O   -2.790300       1.026700      -1.146000    
 N  -0.4509000      -1.971400     -7.2600000E-02
 N   -2.735000      -1.160700      6.8000004E-02
 N    1.547200     -0.6223000     -0.1521000    
 N    1.426600       1.785600     -9.5700003E-02
 N  -0.6528000       2.872200      3.9799999E-02
 C  -0.5583000      0.4495000     -1.5799999E-02
 C   0.1945000     -0.7150000     -8.0899999E-02
 C   8.9900002E-02   1.670900     -2.5599999E-02
 C   -1.821600      -2.071700     -5.0000002E-04
 C   0.4163000      -3.141000     -0.1439000    
 C    2.084800      0.6163000     -0.1554000    
 C    4.354800     -0.8299000      0.5813000    
 H   -2.162600      -3.120100     -4.1000000E-03
 H    1.099900      -3.173000      0.7122000    
 H    1.002000      -3.136800      -1.070000    
 H  -0.1619000      -4.071500     -0.1310000    
 H   -1.518600       2.881400      0.5638000    
 H  -0.1182000       3.732500      1.5900001E-02
 H    5.444200     -0.8533000      0.6702000    
 H    4.037100      -1.701200      2.0999999E-03
 H    3.922400     -0.8785000       1.584400    


%chk=000073004-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000073004

0 1
S -2.394970 0.443139 -0.396007
S 3.891371 0.803072 0.283749
O -3.164370 1.592549 0.476073
O -2.612502 0.414665 -2.003054
N -0.416067 -1.929147 0.042902
N -2.818648 -1.304493 0.255495
N 1.536251 -0.602063 0.164182
N 1.428842 1.830031 0.342124
N -0.631696 2.956814 0.376512
C -0.596602 0.533709 0.030658
C 0.174755 -0.645724 0.061870
C 0.058572 1.791473 0.252893
C -1.782046 -2.128664 0.257396
C 0.484284 -3.110670 0.003223
C 2.086902 0.645365 0.252587
C 4.411680 -0.998855 0.153084
H -2.046974 -3.169719 0.494947
H 1.115843 -3.151876 0.905099
H 1.141025 -3.046018 -0.877559
H -0.133176 -4.019880 -0.068530
H -1.659511 2.934360 0.441790
H -0.102563 3.817967 0.504983
H 5.512654 -0.983005 0.165815
H 4.040532 -1.429356 -0.787212
H 4.020616 -1.564075 1.010380


