%chk=000032469.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000032469

0 1
 S    5.598400       1.652100     -8.1400000E-02
 O   -3.288900      -1.165300      0.1718000    
 O   -4.053900       1.478700     -0.6179000    
 N    2.318400     -0.7359000     -8.5100003E-02
 N   -1.244500     -0.2724000     -0.5626000    
 N   -2.384600       1.910200      0.9475000    
 C   0.2361000      -1.974500      0.4337000    
 C    1.308800      -1.002000      0.9324000    
 C  -0.5264000      -1.494600     -0.7997000    
 C    3.320200      0.1982000      0.4091000    
 C    4.341200      0.4881000     -0.6841000    
 C   -2.545500     -0.2369000     -0.1035000    
 C   -3.079100       1.154400      3.9999999E-02
 H   0.7026000      -2.940800      0.2039000    
 H  -0.4728000      -2.155500       1.251400    
 H    1.779900      -1.438000       1.822000    
 H   0.8293000     -6.6399999E-02   1.244400    
 H   0.1497000      -1.322500      -1.643100    
 H   -1.241300      -2.267800      -1.103500    
 H    2.764200      -1.608700     -0.3663000    
 H    3.822000     -0.2259000       1.288000    
 H    2.834100       1.133700      0.7133000    
 H  -0.7625000      0.6030000     -0.7458000    
 H    3.857100      0.9293000      -1.561900    
 H    4.847400     -0.4297000      -1.001700    
 H    6.081700      0.8683000      0.8937000    
 H   -1.584500       1.547000       1.455900    
 H   -2.651100       2.869600       1.142300    


%chk=000032469-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000032469

0 1
S 4.791703 2.351567 -0.040875
O -3.254964 -0.695653 -0.524108
O -2.899022 2.251258 -1.189866
N 1.966037 -0.742303 0.074117
N -0.922457 -0.504461 -0.395588
N -1.543551 2.092916 0.701013
C 0.236913 -2.495878 0.616025
C 1.283511 -1.495248 1.161114
C -0.622640 -1.935693 -0.551353
C 3.021828 0.187180 0.546953
C 3.514661 1.072669 -0.608257
C -2.207170 0.005605 -0.430681
C -2.260542 1.551958 -0.360765
H 0.736959 -3.419197 0.262183
H -0.415646 -2.790770 1.458704
H 1.999035 -2.040356 1.821825
H 0.773086 -0.748530 1.801183
H -0.090342 -2.080396 -1.511675
H -1.585052 -2.470174 -0.621599
H 2.330078 -1.379949 -0.650293
H 3.887937 -0.343959 1.012218
H 2.586957 0.831816 1.333705
H -0.090724 0.102948 -0.417160
H 2.684612 1.668097 -1.021288
H 3.955534 0.475401 -1.425146
H 5.782342 1.439082 0.288631
H -1.138480 1.502930 1.427125
H -1.564604 3.104842 0.836659


