%chk=000112610.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000112610

1 1
 S    3.936800     -0.2864000     -0.6462000    
 S   -3.000300       1.986200     -0.5523000    
 O    5.260300     -0.2232000      0.3026000    
 O    3.954500      0.8397000      -1.556300    
 O    3.754200      -1.646000      -1.109900    
 N   -1.052400      0.8069000      0.4666000    
 C    1.344800      0.2859000      3.8199998E-02
 C    2.739700      3.6300000E-02  0.6262000    
 C   0.2528000      0.5629000       1.073200    
 C   -1.946900     -0.1981000      0.2138000    
 C    2.707900      -1.142200       1.595600    
 C   -1.433700       2.012000      0.1315000    
 C   -3.118300      0.2732000     -0.3661000    
 C   -1.773600      -1.563800      0.4797000    
 C  -0.6636000       3.255500      0.2983000    
 C   -4.162400     -0.5993000     -0.7031000    
 C   -2.812500      -2.437800      0.1452000    
 C   -3.987200      -1.962000     -0.4368000    
 H    1.396600       1.127800     -0.6625000    
 H    1.046000     -0.5760000     -0.5727000    
 H    3.074900      0.9405000       1.147700    
 H   0.5414000       1.423200       1.689200    
 H   0.1578000     -0.2610000       1.786800    
 H    2.261400      -2.031500       1.137400    
 H    3.712400      -1.417000       1.934000    
 H    2.134800     -0.9012000       2.496100    
 H  -0.8691000      -1.967900      0.9219000    
 H  -0.5307000       3.487200       1.359900    
 H   0.3236000       3.176600     -0.1659000    
 H   -1.165200       4.114200     -0.1609000    
 H   -5.079600     -0.2371000      -1.156400    
 H   -2.701400      -3.501400      0.3391000    
 H   -4.781100      -2.660600     -0.6888000    
 H    5.513200      0.6755000      0.6199000    


%chk=000112610-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000112610

1 1
S 3.629685 0.855846 0.161712
S -2.594524 1.955833 -1.176167
O 3.106542 1.858052 1.663160
O 2.859659 1.491730 -1.120200
O 5.230656 0.688488 0.136645
N -0.863703 0.723024 0.350134
C 1.231833 -0.666931 0.259400
C 2.668732 -0.814078 0.767536
C 0.400927 0.369715 1.061810
C -2.005655 -0.131507 0.375850
C 3.462831 -1.987898 0.205402
C -0.997183 1.845660 -0.400333
C -3.072137 0.379409 -0.410530
C -2.153863 -1.345456 1.083427
C 0.037577 2.901000 -0.579390
C -4.300156 -0.295974 -0.525431
C -3.382370 -2.024512 0.974178
C -4.442410 -1.510816 0.178782
H 1.255996 -0.382117 -0.809775
H 0.763211 -1.668345 0.311684
H 2.783433 -0.690606 1.857758
H 0.979927 1.292724 1.225247
H 0.127041 -0.019774 2.057547
H 3.358333 -2.076092 -0.889549
H 4.535187 -1.909198 0.451607
H 3.084510 -2.920957 0.664187
H -1.352199 -1.750728 1.706855
H 0.237106 3.422886 0.377085
H 1.002886 2.476177 -0.925824
H -0.294602 3.654902 -1.309151
H -5.118914 0.100134 -1.132258
H -3.523736 -2.964955 1.514805
H -5.385112 -2.061672 0.113171
H 3.765590 2.597136 1.805624


