%chk=000072940.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000072940

0 1
 S   -5.575200     -0.3181000     -0.4599000    
 O   -1.385200     -5.2400000E-02 -0.6560000    
 O   -1.132100     -0.6767000       1.616600    
 O   0.9825000      -2.299500      0.5245000    
 O   -5.436800       1.862500       1.020300    
 O    2.808100      -3.345700     -0.4396000    
 N   -3.613700      0.4070000       1.022100    
 C   -1.720700      -1.010100      0.3575000    
 C  -7.1999999E-03 -8.0200002E-02  -1.040900    
 C   -1.345500      -2.445700     -7.0799999E-02
 C   9.4999999E-02  -2.543800     -0.5870000    
 C   0.3176000      -1.453000      -1.644500    
 C   -3.224300     -0.9099000      0.5619000    
 C   0.2590000       1.051300      -2.039200    
 C   -3.998600      -1.182200     -0.7207000    
 C  -2.4100000E-02   2.453800      -1.473900    
 C   0.8434000       2.880200     -0.2662000    
 C   -4.867700      0.8446000      0.6569000    
 C   0.3711000       4.247600      0.2413000    
 C    2.308900       2.974400     -0.6208000    
 C    2.303300      -2.550200      0.3324000    
 C    3.364700       2.520600      7.5199999E-02
 C    3.016800      -1.540500       1.139800    
 C    3.370100       1.784600       1.385900    
 C    4.299200      0.5558000       1.404800    
 C    3.792800     -0.6017000      0.5654000    
 C    4.198500     -0.5727000     -0.8851000    
 H   0.6142000      9.2100002E-02 -0.1567000    
 H   -1.989000      -2.791100     -0.8866000    
 H   -1.473100      -3.126200      0.7800000    
 H   0.2803000      -3.543900     -0.9955000    
 H  -0.3348000      -1.650500      -2.504100    
 H    1.353600      -1.464500      -1.998800    
 H   -3.542200      -1.602600       1.353700    
 H  -0.3901000      0.9145000      -2.913700    
 H    1.293200      0.9985000      -2.398200    
 H   -3.532000     -0.7545000      -1.612900    
 H   -4.176800      -2.247900     -0.8875000    
 H   0.1078000       3.178500      -2.288800    
 H   -1.083200       2.511100      -1.190700    
 H   -3.063400      0.9136000       1.708900    
 H  -0.2617000      -1.104400       1.671000    
 H   0.6845000       2.166700      0.5469000    
 H  -0.6823000       4.206900      0.5397000    
 H   0.9504000       4.563800       1.116300    
 H   0.4732000       5.021200     -0.5284000    
 H    2.531100       3.509000      -1.544200    
 H    4.349000       2.728500     -0.3428000    
 H    2.737100      -1.471000       2.186900    
 H    3.728300       2.486000       2.150000    
 H    2.362600       1.483900       1.690000    
 H    4.402900      0.2283000       2.448300    
 H    5.312700      0.8336000       1.088300    
 H    4.042800      -1.521700      -1.401300    
 H    5.266700     -0.3475000     -0.9741000    
 H    3.638200      0.1913000      -1.429900    


%chk=000072940-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000072940

0 1
S -5.774237 0.019702 -0.056007
O -1.518642 -0.138841 -0.818580
O -1.078492 -0.798882 1.468194
O 0.898034 -2.286441 0.391835
O -5.103379 1.919945 1.889986
O 2.833230 -2.883240 -0.781228
N -3.511582 0.271226 1.331475
C -1.796095 -1.122651 0.233280
C -0.102804 -0.138834 -1.280091
C -1.420626 -2.556374 -0.238269
C 0.013693 -2.609092 -0.794237
C 0.226757 -1.521962 -1.871817
C -3.295849 -0.978504 0.592973
C 0.062592 1.033268 -2.251629
C -4.246360 -0.945161 -0.627241
C -0.178954 2.414218 -1.594261
C 0.759841 2.768873 -0.403263
C -4.720414 0.921437 1.245594
C 0.366912 4.163269 0.166236
C 2.228701 2.776581 -0.806484
C 2.309557 -2.219487 0.143739
C 3.308392 2.427342 -0.051422
C 2.893609 -1.216392 1.045264
C 3.301063 1.915330 1.378359
C 4.307695 0.745070 1.650218
C 4.026571 -0.483072 0.788951
C 4.975150 -0.734156 -0.357873
H 0.546394 0.040296 -0.400723
H -2.108751 -2.868428 -1.045180
H -1.534675 -3.262830 0.603372
H 0.286614 -3.613979 -1.158462
H -0.445034 -1.732581 -2.726078
H 1.264231 -1.553861 -2.246596
H -3.550714 -1.842516 1.244272
H -0.635116 0.902923 -3.102230
H 1.091666 0.984325 -2.660981
H -3.785572 -0.405819 -1.466790
H -4.567945 -1.952512 -0.929251
H -0.072167 3.199903 -2.370717
H -1.224370 2.455791 -1.235709
H -2.786850 0.586186 1.980540
H -0.195056 -1.268387 1.430831
H 0.596385 2.029962 0.406572
H -0.700001 4.176361 0.456806
H 0.973701 4.418350 1.053411
H 0.524143 4.955294 -0.590371
H 2.425944 3.180200 -1.813957
H 4.309549 2.570386 -0.490339
H 2.262481 -0.934723 1.897062
H 3.577516 2.744710 2.063571
H 2.283596 1.597800 1.671609
H 4.241665 0.481577 2.723720
H 5.336775 1.105054 1.462318
H 4.685047 -1.596438 -0.974404
H 5.994086 -0.910827 0.040524
H 5.041998 0.172311 -0.990719


