%chk=000080397.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000080397

0 1
 S   -3.843100      -1.111200      8.7200001E-02
 S    4.041400     -0.8580000     -8.4799998E-02
 O   -4.241800      -1.342800      -1.481300    
 O    4.454000      -1.055000       1.484800    
 O   -3.545500      -2.421400      0.6474000    
 O   -4.856600     -0.2597000      0.6898000    
 O    3.829100      -2.187600     -0.6379000    
 O    4.998000      5.4099999E-02 -0.6922000    
 N   -1.322100       3.350500      1.7300000E-02
 C   7.1400002E-02 -0.1241000     -1.1000000E-03
 C   2.6000001E-02   1.290400     -4.9999999E-03
 C   -1.220200       1.937600      1.9900000E-02
 C   -2.359900     -0.1903000      5.2099999E-02
 C   -1.130700     -0.8498000      2.7600000E-02
 C    1.317500     -0.7714000     -2.6000001E-02
 C    2.501900     -3.4499999E-02 -5.4200001E-02
 C    1.228000       2.015900     -3.3599999E-02
 C   -2.404500       1.200700      4.8200000E-02
 C    2.457200       1.356400     -5.7999998E-02
 H   -1.095500      -1.937400      2.2800000E-02
 H    1.352200      -1.859000     -1.5200000E-02
 H    1.257800       3.101100     -3.6100000E-02
 H   -3.358900       1.721800      5.8899999E-02
 H    3.366700       1.950500     -7.1699999E-02
 H   -2.239400       3.777900      3.5700001E-02
 H  -0.5113000       3.949700     -3.8000001E-03
 H   -3.588300      -1.856100      -2.012300    
 H    3.834900      -1.606400       2.018800    


%chk=000080397-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000080397

0 1
S -3.935627 -1.157862 0.023298
S 4.132064 -0.924333 -0.036340
O -4.124050 -1.236084 -1.822656
O 4.365219 -0.912357 1.806014
O -3.682037 -2.653794 0.581599
O -5.130063 -0.244049 0.620850
O 3.932510 -2.450550 -0.531319
O 5.263829 0.021823 -0.700829
N -1.349178 3.374675 0.031812
C 0.064200 -0.135895 -0.001230
C 0.027192 1.315723 -0.000812
C -1.262551 1.991580 0.015351
C -2.332923 -0.186426 0.001147
C -1.145292 -0.901128 -0.004689
C 1.332747 -0.802858 0.000105
C 2.484993 -0.034866 -0.008577
C 1.264633 2.037684 -0.015270
C -2.443280 1.217582 0.012733
C 2.497783 1.382509 -0.017747
H -1.130320 -1.994512 0.003408
H 1.384768 -1.896895 -0.006339
H 1.274768 3.132417 -0.028230
H -3.432221 1.686855 0.040788
H 3.444574 1.929087 -0.044175
H -2.259116 3.827851 0.036637
H -0.528107 3.969772 0.057361
H -4.945417 -1.774437 -2.019889
H 5.249201 -1.339614 2.004298