%chk=000043784.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000043784

0 1
 S   0.2467000      1.6200000E-02 -0.4132000    
 O   -2.686000       2.219500      -1.228900    
 O    1.599400     -0.9945000       1.612900    
 O   -1.814500       2.925800      0.7414000    
 O   -4.114400      -1.675100      0.9754000    
 N    2.723200     -0.7300000     -0.4098000    
 N   -3.002800     -0.2518000     -0.4945000    
 C    5.120200     -0.1897000     -0.1728000    
 C    4.010500      -1.235300     -1.6100001E-02
 C    5.275700      0.2546000      -1.629000    
 C    4.828100       1.021500      0.7135000    
 C   -2.344000      0.5733000      0.4870000    
 C  -0.9889000     -3.8999999E-03  0.9038000    
 C    1.635400     -0.6548000      0.4374000    
 C   -2.241800       2.020600      3.5000000E-02
 C   -3.835200      -1.309900     -0.1637000    
 C   -4.411700      -1.986600      -1.378300    
 H    6.064500     -0.6427000      0.1530000    
 H    3.971000      -1.591400       1.019300    
 H    4.219900      -2.102600     -0.6522000    
 H    6.136200      0.9246000      -1.732800    
 H    5.445300     -0.6077000      -2.282400    
 H    4.394500      0.7924000      -1.993600    
 H    5.664700       1.728100      0.6807000    
 H    4.692300      0.7182000       1.757100    
 H    3.929800       1.560600      0.3947000    
 H   -2.995100      0.5883000       1.370900    
 H   -1.115800      -1.036300       1.248900    
 H  -0.5954000      0.5805000       1.743600    
 H    2.587000     -0.4535000      -1.377200    
 H   -2.834100     -4.8799999E-02  -1.475800    
 H   -4.905400      -2.916400      -1.082800    
 H   -5.142600      -1.325500      -1.851900    
 H   -3.617400      -2.223300      -2.092000    
 H   -2.617400       3.160300      -1.498100    


%chk=000043784-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000043784

0 1
S 0.135928 -1.416187 -0.298803
O -1.448028 1.909107 -1.170679
O 1.726374 -0.643483 1.859544
O -0.520286 2.126345 0.948500
O -4.331204 -1.337310 0.809163
N 2.837551 -1.199186 -0.126407
N -2.896243 -0.196263 -0.606796
C 4.887667 0.301843 -0.157203
C 4.212667 -0.993048 0.374464
C 5.066640 0.266315 -1.693872
C 4.123010 1.566884 0.294077
C -2.046665 0.242949 0.505485
C -1.096446 -0.868348 1.019881
C 1.728757 -1.009837 0.660166
C -1.259480 1.505377 0.162120
C -4.018882 -0.971384 -0.367314
C -4.839986 -1.350277 -1.593717
H 5.897489 0.318864 0.305303
H 4.146132 -0.957582 1.475289
H 4.821110 -1.875153 0.093846
H 5.638215 1.145935 -2.041205
H 5.610552 -0.640286 -2.021739
H 4.087013 0.289901 -2.209664
H 4.644771 2.481052 -0.043971
H 4.025151 1.609158 1.393404
H 3.101246 1.582201 -0.128439
H -2.709768 0.483394 1.363050
H -1.697531 -1.741591 1.311677
H -0.485291 -0.517325 1.871824
H 2.704629 -1.483002 -1.098885
H -2.661804 0.134486 -1.543914
H -4.878739 -2.450166 -1.676406
H -5.876358 -0.997124 -1.455876
H -4.440911 -0.935271 -2.535052
H -0.905378 2.723713 -1.348351


