%chk=000135913.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000135913

0 1
 S   -4.825600     -0.3335000      0.1348000    
 O  -0.4093000       2.210800      7.7100001E-02
 O   -5.232200      -1.595500      0.7364000    
 O   -5.336000      0.9206000      0.6716000    
 N    1.891200      -1.169500     -0.4466000    
 N    1.912400      0.7763000      0.6291000    
 N    5.568900     -0.9040000     -0.3442000    
 C  -0.2905000     -0.1899000      0.1207000    
 C   -3.080600     -0.2779000      0.1291000    
 C    1.152400     -0.1663000      0.1170000    
 C   -1.027400      0.9954000      0.1004000    
 C   -2.421600      0.9514000      0.1045000    
 C  -0.9509000      -1.419000      0.1453000    
 C   -2.345100      -1.463000      0.1493000    
 C    3.213900     -0.8518000     -0.2868000    
 C    3.203000      0.3658000      0.3865000    
 C   -5.271600     -0.3799000      -1.586400    
 C    4.420700      0.9740000      0.7083000    
 C    4.387300      -1.490100     -0.6541000    
 C    5.559500      0.2824000      0.3122000    
 C  -0.1184000       2.763800      -1.204200    
 H   -2.982000       1.882500      8.3200000E-02
 H  -0.4114000      -2.362200      0.1751000    
 H   -2.837200      -2.431500      0.1647000    
 H    1.538900      -1.994100     -0.9149000    
 H   -4.901800      0.5241000      -2.073900    
 H   -4.837700      -1.272200      -2.041600    
 H   -6.360900     -0.4203000      -1.653200    
 H    4.479100       1.920700       1.231100    
 H    4.420200      -2.435800      -1.177500    
 H    6.544200      0.6886000      0.5249000    
 H   0.4304000       3.698000      -1.057000    
 H   -1.045900       2.984600      -1.742000    
 H   0.5031000       2.083800      -1.795100    


%chk=000135913-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000135913

0 1
S -5.019716 -0.442737 0.285509
O -0.835888 2.463670 -0.483155
O -5.290043 -1.864750 1.049736
O -5.585631 0.985271 0.845702
N 1.869924 -1.004011 -0.739215
N 1.923457 0.856612 0.587011
N 5.615803 -0.973093 -0.340635
C -0.349591 -0.009828 -0.130676
C -3.136558 -0.280113 0.075035
C 1.125824 0.008266 -0.100668
C -1.193724 1.146391 -0.240490
C -2.604133 0.992995 -0.103569
C -0.967748 -1.285516 0.060076
C -2.358717 -1.448756 0.161320
C 3.221719 -0.789270 -0.447857
C 3.235145 0.383869 0.382741
C -5.679052 -0.638442 -1.503769
C 4.476938 0.864986 0.855681
C 4.422853 -1.443656 -0.795659
C 5.625994 0.147656 0.461587
C 0.456578 2.855829 -1.074469
H -3.237961 1.885016 -0.133105
H -0.323658 -2.160839 0.200943
H -2.822404 -2.418791 0.363195
H 1.484545 -1.726057 -1.345904
H -5.405249 0.275203 -2.048769
H -5.215899 -1.543061 -1.920757
H -6.767079 -0.743834 -1.390138
H 4.544577 1.746895 1.498028
H 4.453918 -2.337527 -1.429049
H 6.618689 0.467948 0.794575
H 0.290400 3.884859 -1.425987
H 0.713582 2.201005 -1.928786
H 1.252207 2.810111 -0.314683


