%chk=000118969.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000118969

0 1
 S    1.144400      -4.369900      0.1551000    
 S    8.725200       1.240400      0.2553000    
 O    1.338800      -5.012100      -1.335800    
 O    2.471400      -4.032500      0.6486000    
 O   0.2714000      -5.250200      0.9158000    
 O   -9.187200       1.213000      0.4996000    
 O    9.134000      0.9818000      -1.306400    
 O    9.127200       2.601500      0.5794000    
 O    9.211100      0.1168000       1.041100    
 N    2.358400      0.7782000     -0.7761000    
 N   -3.234500      0.7741000     -0.7011000    
 N    2.796800       1.001400      0.3750000    
 N   -3.642000      0.9965000      0.4614000    
 C   0.2733000     -0.4850000     -0.5240000    
 C   -1.141800     -0.4859000     -0.5052000    
 C   0.9637000      -1.690700     -0.3190000    
 C   0.2688000      -2.880200     -9.8300003E-02
 C   0.9565000      0.7216000     -0.7475000    
 C   -1.832100      0.7199000     -0.7103000    
 C   -1.824900      -1.692400     -0.2817000    
 C   -1.122900      -2.880900     -7.9700001E-02
 C   0.2544000       1.910200     -0.9494000    
 C   -1.137100       1.909300     -0.9308000    
 C    4.200700       1.058000      0.3469000    
 C    6.981200       1.170100      0.2907000    
 C   -5.046300       1.051100      0.4710000    
 C    4.943100     -0.1025000      0.5438000    
 C    4.838600       2.274200      0.1224000    
 C    6.336600     -4.6399999E-02  0.5155000    
 C    6.232200       2.330400      9.4400004E-02
 C   -5.781100     -0.1106000      0.6873000    
 C   -5.691900       2.266400      0.2639000    
 C   -7.827200       1.158800      0.4887000    
 C   -7.175100     -5.6600001E-02  0.6962000    
 C   -7.085800       2.320400      0.2726000    
 C   -9.886900      4.4799998E-02  7.3700003E-02
 C   -11.21130      0.4569000     -0.5330000    
 H    2.050300      -1.711600     -0.3443000    
 H   -2.911100      -1.737600     -0.2667000    
 H   -1.685400      -3.796400      8.1100002E-02
 H   0.7842000       2.843500      -1.123600    
 H   -1.672500       2.842000      -1.090700    
 H    4.449300      -1.054500      0.7192000    
 H    4.262700       3.182600     -3.2600001E-02
 H    1.863900      -4.465100      -1.966400    
 H    6.898200     -0.9644000      0.6637000    
 H    6.712600       3.287400     -8.9199997E-02
 H   -5.280900      -1.060300      0.8572000    
 H   -5.121800       3.176100      9.5500000E-02
 H   -7.713800     -0.9781000      0.8962000    
 H   -7.588300       3.270100      0.1110000    
 H   -10.06150     -0.6053000      0.9380000    
 H   -9.330900     -0.5067000     -0.6949000    
 H   -11.78050     -0.4171000     -0.8617000    
 H   -11.81080       1.015600      0.1934000    
 H   -11.05340       1.119000      -1.390800    
 H    8.798900       1.651900      -1.947700    


%chk=000118969-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000118969

0 1
S 1.609220 -4.101135 -3.005713
S 9.003922 1.684684 0.864523
O 1.595843 -3.251590 -4.659534
O 3.116025 -4.074623 -2.418161
O 0.807848 -5.499835 -3.150446
O -9.568441 0.413462 0.299502
O 9.236438 0.606577 2.360968
O 9.691082 0.952314 -0.403995
O 9.398568 3.204979 1.252392
N 2.422088 0.267244 -0.017025
N -3.260365 -0.139121 -0.217319
N 2.954256 1.253373 0.667951
N -3.955737 0.804848 0.386908
C 0.395380 -0.846138 -0.763078
C -1.046359 -0.954592 -0.818963
C 1.194912 -1.813726 -1.450198
C 0.545952 -2.826497 -2.136338
C 1.003848 0.238131 -0.020980
C -1.851355 0.032093 -0.127910
C -1.646608 -2.034402 -1.547270
C -0.862474 -2.977252 -2.212627
C 0.181231 1.181440 0.640052
C -1.219578 1.079850 0.587025
C 4.384168 1.266779 0.663159
C 7.142075 1.504845 0.797158
C -5.358988 0.649792 0.328637
C 4.969279 2.344818 1.382144
C 5.208399 0.306020 0.005265
C 6.369834 2.473593 1.458161
C 6.607354 0.422174 0.072760
C -6.110471 1.675969 0.966448
C -6.050871 -0.432934 -0.304664
C -8.188727 0.561974 0.351106
C -7.514991 1.643198 0.983548
C -7.445638 -0.473694 -0.291714
C -10.420737 1.444179 0.944949
C -11.868216 1.018307 0.724883
H 2.284452 -1.742170 -1.409454
H -2.736768 -2.095255 -1.567017
H -1.302199 -3.814820 -2.761514
H 0.668693 1.990122 1.192551
H -1.857337 1.806975 1.097644
H 4.306478 3.063885 1.872509
H 4.737923 -0.514806 -0.542315
H 2.090349 -3.838743 -5.302934
H 6.847627 3.298454 1.994961
H 7.267103 -0.291796 -0.429951
H -5.560539 2.493489 1.443816
H -5.466863 -1.218537 -0.791997
H -8.069447 2.443915 1.479735
H -8.001037 -1.288441 -0.766009
H -10.210118 2.427805 0.479662
H -10.169857 1.493904 2.023343
H -12.550609 1.753666 1.187992
H -12.099087 0.957946 -0.351948
H -12.059113 0.031192 1.178431
H 10.221084 0.529106 2.527690


