%chk=000001792.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000001792

0 1
 S   -3.166200     -0.1770000     -7.0699997E-02
 O   -3.361400     -0.8429000       1.406600    
 O   -4.106500      0.9248000     -0.1746000    
 O   -3.148100      -1.243300      -1.055100    
 N    3.332600      0.1366000      2.6200000E-02
 C   0.8796000      0.3472000     -1.0100000E-02
 C  -0.3872000     -0.2834000     -3.1399999E-02
 C    2.040200     -0.4433000      3.8999999E-03
 C   -1.547700      0.5074000     -4.5499999E-02
 C   0.9485000       1.750000     -3.8999999E-03
 C  -0.4559000      -1.686100     -3.7900001E-02
 C    1.953300      -1.835800     -2.6000000E-03
 C   -1.460700       1.899900     -3.8600001E-02
 C   0.7075000      -2.456000     -2.3499999E-02
 C  -0.2149000       2.520100     -1.8100001E-02
 C    4.015900      0.4390000      -1.212000    
 C    3.971100      0.4427000       1.287300    
 H    1.898800       2.277600      1.4200000E-02
 H   -1.382600      -2.245000     -4.1999999E-03
 H    2.851400      -2.448400      1.1200000E-02
 H   -2.339200       2.537800     -4.5499999E-02
 H   0.6414000      -3.540200     -1.7400000E-02
 H  -0.1474000       3.604200     -1.1600000E-02
 H    3.542300       1.286100      -1.718700    
 H    3.995700     -0.4222000      -1.889000    
 H    5.067700      0.6940000      -1.044000    
 H    4.349700     -0.4736000       1.752200    
 H    3.269600      0.9163000       1.982900    
 H    4.814200       1.129800       1.159400    
 H   -3.312900     -0.2139000       2.164500    


%chk=000001792-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000001792

0 1
S -3.284426 -0.062122 0.237087
O -3.051364 -0.883009 1.892888
O -4.342143 1.153191 0.389742
O -3.598637 -1.235482 -0.837183
N 3.366821 0.301615 -0.156568
C 0.886036 0.471999 -0.104079
C -0.407483 -0.200636 -0.097839
C 2.096816 -0.323559 -0.255674
C -1.540513 0.648499 0.123984
C 0.929483 1.900612 -0.026225
C -0.482671 -1.607411 -0.349692
C 1.969177 -1.695615 -0.549528
C -1.493092 2.030893 0.262681
C 0.691573 -2.318484 -0.604961
C -0.224763 2.668938 0.147960
C 4.519253 -0.351716 -0.797051
C 3.732208 1.015191 1.090354
H 1.894885 2.398135 -0.154562
H -1.452555 -2.109237 -0.373152
H 2.862753 -2.309548 -0.694377
H -2.412345 2.602097 0.426724
H 0.635799 -3.391224 -0.820254
H -0.165671 3.760623 0.187858
H 4.247251 -0.699389 -1.807405
H 4.913073 -1.217476 -0.215688
H 5.336687 0.385138 -0.894866
H 4.322178 0.354917 1.764218
H 2.832792 1.331441 1.638106
H 4.342813 1.909933 0.865041
H -3.875133 -1.425914 2.066461


