%chk=000053174.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000053174

0 1
 S   -3.726100     -0.2647000     -0.6798000    
 O   -3.837100      0.6122000      -1.835800    
 O   -4.375000      -1.567500     -0.6932000    
 O    5.938000       1.014200     -0.1156000    
 O    4.993100     -0.8602000      0.7861000    
 N    1.368800      0.9841000     -0.6963000    
 N    2.046600     -0.8344000      0.3869000    
 N    3.699500      0.7857000     -0.2831000    
 C   -4.349200      0.6122000      0.7357000    
 C   -2.025500     -0.4855000     -0.3365000    
 C   -5.837000      0.8918000      0.6027000    
 C   0.2309000      0.2600000     -0.4490000    
 C   -1.112000      0.4896000     -0.7502000    
 C   0.6803000     -0.8703000      0.2279000    
 C   -1.605100      -1.630100      0.3446000    
 C  -0.2513000      -1.839600      0.6363000    
 C   -6.368000       1.658600       1.802300    
 C    2.426300      0.2897000     -0.1782000    
 C    4.876700      0.2030000      0.1895000    
 C    7.226400      0.5513000      0.3058000    
 H   -3.785300       1.547100      0.8167000    
 H   -4.148600     -2.6000000E-03   1.619100    
 H   -6.032500       1.469900     -0.3080000    
 H   -6.390600     -4.9100000E-02  0.5031000    
 H   -1.416600       1.388700      -1.273700    
 H   -2.321400      -2.380600      0.6698000    
 H   6.5399997E-02  -2.731400       1.167400    
 H    1.417400       1.873000      -1.176000    
 H   -5.861200       2.623200       1.907000    
 H   -7.439700       1.848900       1.686800    
 H   -6.221500       1.091000       2.726800    
 H    3.795600       1.679200     -0.7592000    
 H    7.256000      0.4552000       1.395300    
 H    7.970100       1.291100     -1.7000000E-03
 H    7.461100     -0.4033000     -0.1746000    


%chk=000053174-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000053174

0 1
S -3.577069 0.549045 -0.778513
O -3.312977 2.117003 -1.187695
O -4.519790 -0.438303 -1.685560
O 6.036186 0.305114 0.223049
O 4.164586 1.726822 0.081494
N 1.770776 0.415145 -0.189581
N 1.938644 -1.876607 -0.234170
N 3.979356 -0.618144 0.001218
C -4.348278 0.563776 1.007265
C -1.883070 -0.268392 -0.578079
C -5.739757 1.194316 0.936662
C 0.458913 -0.060976 -0.333239
C -0.781285 0.591563 -0.444025
C 0.584025 -1.499278 -0.360861
C -1.816476 -1.679893 -0.637200
C -0.561254 -2.312528 -0.521132
C -6.398450 1.230752 2.336528
C 2.592987 -0.706764 -0.137961
C 4.680159 0.575023 0.100023
C 6.911138 1.497135 0.331143
H -3.623523 1.143607 1.602302
H -4.354349 -0.498308 1.303373
H -5.656153 2.219653 0.530538
H -6.368521 0.613051 0.236744
H -0.914457 1.678164 -0.465789
H -2.730659 -2.257623 -0.808346
H -0.464681 -3.400626 -0.565289
H 2.129697 1.373601 -0.135596
H -5.800354 1.827636 3.049654
H -7.402118 1.687382 2.272307
H -6.515896 0.214114 2.754967
H 4.491264 -1.502757 0.023308
H 6.817845 2.120028 -0.573632
H 7.925176 1.086308 0.426735
H 6.636866 2.091361 1.218259


