%chk=000163306.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000163306

0 1
 S    3.640800      0.7995000       1.468800    
 O   -4.027200       1.971700      1.5300000E-02
 O   -1.932600       2.641900     -2.2600001E-02
 N    2.462700     -3.5999999E-03 -0.6721000    
 N    1.616700      -1.025000       1.195900    
 N   -2.796200       1.732600     -2.4999999E-03
 C   0.9046000      -1.567200     -3.2400001E-02
 C    1.639500     -0.9968000      -1.290300    
 C    3.584900      0.6902000      -1.242100    
 C    2.447300     -0.1722000      0.6717000    
 C    4.088300       1.619000     -0.1236000    
 C  -0.5744000      -1.245000     -1.2800000E-02
 C   -1.000300      8.3800003E-02 -1.7200001E-02
 C   -1.513400      -2.276900      1.0100000E-02
 C   -2.363200      0.3802000      1.0000000E-03
 C   -2.876300      -1.980400      2.8700000E-02
 C   -3.301200     -0.6519000      2.4100000E-02
 H    1.038600      -2.656900     -2.5100000E-02
 H    2.259100      -1.775600      -1.748700    
 H   0.9704000     -0.5784000      -2.048000    
 H    3.305100       1.260100      -2.133500    
 H    4.367900     -2.4599999E-02  -1.520900    
 H    5.164800       1.796800     -0.1897000    
 H    3.565000       2.579900     -0.1621000    
 H  -0.2578000      0.8774000     -3.3500001E-02
 H   -1.198300      -3.316900      1.4000000E-02
 H   -3.606300      -2.784300      4.6700001E-02
 H   -4.370900     -0.4593000      3.9000001E-02


%chk=000163306-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000163306

0 1
S 3.650937 0.766505 1.559318
O -3.986351 2.064985 0.030971
O -1.805213 2.676962 -0.218612
N 2.385193 0.079608 -0.707326
N 1.651510 -1.193068 1.113046
N -2.729198 1.787001 -0.070578
C 0.917333 -1.692847 -0.128795
C 1.676916 -1.046837 -1.361447
C 3.584131 0.762149 -1.213785
C 2.426584 -0.234414 0.671844
C 4.014082 1.710360 -0.069455
C -0.560988 -1.318659 -0.058183
C -0.955051 0.039827 -0.093478
C -1.556966 -2.318438 0.061581
C -2.324465 0.357875 -0.019304
C -2.928131 -1.977488 0.143688
C -3.329112 -0.628442 0.102804
H 1.002195 -2.793090 -0.153295
H 2.400130 -1.764938 -1.805318
H 0.986489 -0.698946 -2.147553
H 3.355361 1.346620 -2.122379
H 4.396012 0.038182 -1.453136
H 5.087914 1.944763 -0.096719
H 3.413155 2.631635 -0.057950
H -0.217710 0.844554 -0.172030
H -1.256504 -3.372252 0.100294
H -3.682406 -2.764909 0.240765
H -4.378250 -0.328598 0.163232


