%chk=000080334.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000080334

0 1
 S   -3.484100      -2.486400     -9.0700001E-02
 O  -0.6189000       2.670500      4.5899998E-02
 O   -3.764100      -2.780100      -1.674500    
 O   -2.572700      -3.520000      0.3781000    
 O   -4.766400      -2.276100      0.5631000    
 O    1.408900      -1.743300      0.8730000    
 O   -4.668000       2.580300     -0.4068000    
 O   -3.056800       3.725300      0.7154000    
 N   0.8305000      0.2914000     -0.1423000    
 N    7.213900      0.5003000     -0.3944000    
 C  -0.5846000      0.2835000     -7.8699999E-02
 C   -2.635900     -0.9607000     -5.0299998E-02
 C   -1.242600     -0.9353000     -0.1120000    
 C   -1.281000       1.477100      1.4500000E-02
 C   -2.674200       1.451900      7.6200001E-02
 C   -3.351600      0.2330000      4.4000000E-02
 C    1.730100     -0.6808000      0.3165000    
 C    3.140600     -0.3775000      0.1334000    
 C   -3.442500       2.685300      0.1747000    
 C    4.089700     -0.9273000      0.9949000    
 C    3.544100      0.4638000     -0.9035000    
 C    5.846200      0.2055000     -0.2173000    
 C    5.442500     -0.6356000      0.8197000    
 C    4.896900      0.7554000      -1.078900    
 H  -0.7016000      -1.867900     -0.2298000    
 H   -4.436800      0.2050000      9.7000003E-02
 H    1.229400       1.187700     -0.4022000    
 H    3.797100      -1.581000       1.812600    
 H    2.843800      0.8863000      -1.618400    
 H    6.172500      -1.069100       1.498500    
 H    5.200000       1.406400      -1.895000    
 H   0.2968000       2.527500      0.3337000    
 H   -2.958700      -2.875400      -2.235500    
 H    7.507000       1.110700      -1.145600    
 H    7.902600      0.1023000      0.2302000    
 H   -5.178500       3.415000     -0.3361000    


%chk=000080334-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000080334

0 1
S -3.617576 -2.514111 0.436210
O -0.489574 2.546104 -0.415902
O -3.532402 -3.102172 -1.325133
O -2.786770 -3.556969 1.351003
O -5.152756 -2.152341 0.795762
O 1.450157 -1.946124 0.176129
O -4.717257 2.703716 -0.345599
O -2.704687 3.829183 -0.557445
N 0.867664 0.299128 -0.101179
N 7.407534 0.547950 -0.151758
C -0.528775 0.184805 -0.057323
C -2.661273 -0.934844 0.154690
C -1.253830 -1.012948 0.135939
C -1.253197 1.411429 -0.229993
C -2.680250 1.436532 -0.200518
C -3.405955 0.230606 -0.007783
C 1.812047 -0.735318 0.030145
C 3.245363 -0.326967 -0.020428
C -3.339758 2.733501 -0.379674
C 4.215803 -1.367375 -0.025132
C 3.710610 1.018244 -0.051700
C 6.049017 0.262380 -0.107122
C 5.587124 -1.088889 -0.069466
C 5.082127 1.312948 -0.093799
H -0.712756 -1.952720 0.275040
H -4.498625 0.229646 0.023153
H 1.196105 1.255387 -0.261314
H 3.853358 -2.400009 0.008926
H 3.016985 1.867873 -0.024611
H 6.313747 -1.910130 -0.074737
H 5.416295 2.357161 -0.111501
H -1.125228 3.345572 -0.523302
H -3.846474 -4.053140 -1.336526
H 7.741017 1.507572 -0.176493
H 8.096883 -0.198777 -0.155762
H -5.081094 3.620797 -0.473394


