%chk=000088943.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000088943

0 1
 S    2.993200       1.330300     -6.5700002E-02
 O   0.3309000       1.889300     -4.5600001E-02
 O   -1.648700      -3.072400      3.2900002E-02
 O    2.726200       1.968100       1.412600    
 O    4.418600       1.074600     -0.1742000    
 O    2.299800       2.143300      -1.047700    
 N   -1.994200       2.972700     -3.0600000E-02
 C   0.7897000     -0.4206000     -2.2700001E-02
 C   0.2687000      -1.716100     -3.3000000E-03
 C   -1.572500      0.5295000     -8.8000000E-03
 C   -2.093400     -0.7660000      1.1000000E-02
 C  -0.1119000      0.7495000     -2.6600000E-02
 C    2.176000     -0.2256000     -3.8500000E-02
 C   -1.191800      -1.936100      1.4600000E-02
 C   -2.437800       1.630000     -1.2000000E-02
 C    1.134100      -2.816700     -3.9999999E-04
 C    3.034800      -1.325200     -3.5399999E-02
 C   -3.479700     -0.9608000      2.7500000E-02
 C    2.514900      -2.617900     -1.6600000E-02
 C   -3.818700       1.431400      4.8000002E-03
 C   -4.338500      0.1386000      2.4700001E-02
 H   0.7538000      -3.834500      1.4700000E-02
 H    4.116300      -1.232300     -4.2900000E-02
 H   -3.909900      -1.958600      4.3000001E-02
 H    3.184900      -3.472900     -1.3200000E-02
 H   -4.505100       2.274700      2.9000000E-03
 H   -5.413900     -1.3600000E-02  3.7700001E-02
 H   -1.008800       3.192700     -4.5400001E-02
 H   -2.668800       3.726600     -3.3700000E-02
 H    3.091400       1.451700       2.169000    


%chk=000088943-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000088943

0 1
S 3.107531 1.356744 -0.112383
O 0.362427 1.911097 0.150683
O -1.737184 -3.177153 -0.044134
O 2.758420 2.128980 1.540824
O 4.680168 0.943352 0.018219
O 2.700463 2.281818 -1.362376
N -2.037110 2.946599 0.098310
C 0.741813 -0.440735 0.006806
C 0.210284 -1.765035 -0.006611
C -1.612820 0.529105 0.022119
C -2.162536 -0.796564 -0.024902
C -0.167821 0.742518 0.059572
C 2.149575 -0.314817 -0.006761
C -1.271663 -1.993197 -0.023695
C -2.514129 1.661834 0.039507
C 1.072010 -2.889273 -0.010010
C 3.020795 -1.414587 -0.005858
C -3.553861 -1.002993 -0.062953
C 2.466755 -2.718391 -0.001755
C -3.927702 1.417449 -0.006557
C -4.430551 0.112442 -0.057240
H 0.614128 -3.882894 -0.018643
H 4.102928 -1.247993 -0.010846
H -3.930288 -2.029076 -0.094862
H 3.133837 -3.585738 0.001271
H -4.612484 2.273624 0.001446
H -5.513424 -0.046937 -0.089603
H -1.013051 3.073467 0.143726
H -2.678734 3.737009 0.099765
H 3.681824 2.323045 1.889041


