%chk=000147528.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000147528

0 1
 S    2.696900     -0.4561000      1.1300000E-02
 O   -1.562300      -3.080100      -3.256200    
 O   -1.595700      -3.676800       2.937100    
 O    6.492200      0.2484000      1.1100000E-02
 O    5.335700      -1.622400     -7.1999999E-03
 N   -2.163400      -1.528200      1.5500000E-02
 N  -0.1825000     -0.2585000      2.2100000E-02
 N  -0.2659000       2.149700      4.8700001E-02
 N    5.386100     -0.3607000      6.5000001E-03
 C   -1.528800     -0.2612000      2.7400000E-02
 C   -2.493500      -2.164500      -1.240300    
 C   -2.472200      -2.198500       1.259000    
 C   -2.308000      0.8923000      4.3000001E-02
 C   -1.609800       2.110800      5.3500000E-02
 C   -1.228100      -2.422700      -2.040400    
 C   -1.293400      -3.051400       1.696200    
 C   0.3747000      0.9631000      3.3199999E-02
 C   -3.713400      0.8638000      4.8099998E-02
 C   -2.355500       3.287000      6.9200002E-02
 C    1.808700       1.012800      3.0400001E-02
 C   -4.433500       2.054300      6.3800000E-02
 C   -3.753400       3.267000      7.4299999E-02
 C    2.647900       2.112200      4.1400000E-02
 C    4.024100       1.743500      3.4100000E-02
 C    4.193200      0.3764000      1.7899999E-02
 H   -3.183700      -1.540100      -1.820900    
 H   -3.021800      -3.113300      -1.083700    
 H   -3.367400      -2.824500       1.155400    
 H   -2.721100      -1.476500       2.047700    
 H  -0.5325000      -3.063200      -1.488800    
 H  -0.7029000      -1.499600      -2.303500    
 H  -0.3921000      -2.447300       1.838900    
 H   -1.063100      -3.830000      0.9616000    
 H   -4.272000     -6.8099998E-02  4.2700000E-02
 H   -1.847300       4.249400      7.7799998E-02
 H   -5.518900       2.036600      6.8400003E-02
 H   -4.307800       4.201000      8.6700000E-02
 H    2.300700       3.138200      5.4099999E-02
 H   -2.160700      -2.494800      -3.751100    
 H   -2.379900      -4.235300       2.800200    
 H    4.839700       2.455900      4.0600002E-02


%chk=000147528-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000147528

0 1
S 2.691145 -0.376975 1.251926
O -4.378363 -2.825251 -2.301179
O 0.470659 -4.410893 0.917959
O 6.501591 0.700407 1.844618
O 5.351264 -1.239827 2.283645
N -2.026960 -1.567498 0.412812
N -0.164288 -0.180434 0.443229
N -0.080081 2.110390 -0.379251
N 5.424472 -0.022171 1.839251
C -1.495504 -0.301565 0.182856
C -3.248498 -2.117377 -0.225356
C -1.177730 -2.566584 1.120683
C -2.249753 0.874386 -0.276443
C -1.451186 2.047597 -0.591559
C -3.237485 -2.065613 -1.775094
C -0.305880 -3.420159 0.166797
C 0.473094 1.009984 0.179754
C -3.670251 0.990882 -0.382658
C -2.087876 3.223936 -1.098995
C 1.896931 1.065061 0.516655
C -4.273677 2.166185 -0.849001
C -3.476402 3.284188 -1.233259
C 2.778187 2.138416 0.347422
C 4.103998 1.860874 0.793211
C 4.225305 0.568764 1.303409
H -4.170213 -1.652394 0.170810
H -3.307308 -3.182173 0.056144
H -1.853844 -3.222085 1.704656
H -0.509047 -2.038878 1.816401
H -2.342159 -2.581342 -2.159001
H -3.233313 -1.025163 -2.151022
H 0.444356 -2.777241 -0.317915
H -0.929692 -3.906663 -0.614162
H -4.317995 0.169850 -0.071994
H -1.443187 4.072621 -1.345354
H -5.365350 2.227419 -0.911724
H -3.955621 4.193157 -1.611834
H 2.446513 3.083182 -0.085992
H -5.195032 -2.267069 -2.274414
H -0.134104 -5.109053 1.275934
H 4.942583 2.557711 0.753832


