%chk=000157844.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000157844

0 1
 S   0.9582000      0.5231000       1.525500    
 O    7.937500       2.262500     -0.1974000    
 O    3.811700      0.8495000       2.216400    
 O    6.185400       2.219300      -1.639100    
 O   -6.486500       2.086600     -0.6300000    
 O    7.692000      -3.339700      -1.259200    
 O    8.001500      -2.884300      0.9418000    
 N   -1.474700      0.2513000      0.4274000    
 N    4.646300      0.8376000      7.5800002E-02
 N   -8.190500      -1.364300      0.3048000    
 N   -8.308800      0.9833000      0.2055000    
 N   -6.334200      -2.674900     -0.3907000    
 N   -10.09210     -0.3025000       1.036700    
 C   -3.866400     -8.0000004E-03 -5.1700000E-02
 C   -4.935800     -0.1439000      -1.138700    
 C    6.020600       1.015000      0.4713000    
 C   -2.458500      0.1223000     -0.6287000    
 C    6.737200     -0.3149000      0.7352000    
 C   -6.302700     -0.2820000     -0.5565000    
 C    6.858600      -1.258800     -0.4680000    
 C  -0.1398000      0.3753000      0.2198000    
 C   -6.916900      -1.444200     -0.2246000    
 C    2.256400      0.6161000      0.4443000    
 C    3.607200      0.7653000       1.004000    
 C    6.692900       1.873700     -0.5801000    
 C   -7.035700       1.028200     -0.3323000    
 C   0.5008000      0.3999000     -0.9996000    
 C    1.911500      0.5419000     -0.8600000    
 C    7.561900      -2.561300     -0.1530000    
 C   -8.837300     -0.1721000      0.5009000    
 H   -4.081700      0.8684000      0.5739000    
 H   -3.901800     -0.8786000      0.6166000    
 H   -4.884500      0.7103000      -1.824800    
 H   -4.701300      -1.011200      -1.768500    
 H    6.023700       1.603400       1.397800    
 H   -2.416600       1.001300      -1.283000    
 H   -2.235300     -0.7624000      -1.237100    
 H    7.746300     -0.1075000       1.114800    
 H    6.215600     -0.8454000       1.542800    
 H   -1.825100      0.2478000       1.381900    
 H    5.860000      -1.506800     -0.8442000    
 H    7.422300     -0.7635000      -1.266200    
 H    4.456800      0.7479000     -0.9163000    
 H  -6.0000003E-04  0.3215000      -1.956300    
 H    2.583900      0.5819000      -1.706200    
 H   -8.632400      -2.244400      0.5469000    
 H   -5.393000      -2.762600     -0.7497000    
 H   -6.850600      -3.500500     -0.1147000    
 H    8.365800       2.831900     -0.8717000    
 H   -10.48140      -1.212400       1.257800    
 H   -10.66840      0.5099000       1.227400    
 H    8.163300      -4.177300      -1.063100    


%chk=000157844-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000157844

0 1
S 1.066092 0.657358 1.554139
O 8.252353 2.056762 -0.454513
O 4.042837 0.804578 2.087045
O 6.501277 1.954435 -1.974707
O -6.485017 2.039402 0.143340
O 7.520976 -3.551760 -0.900060
O 7.827670 -2.916243 1.311653
N -1.497586 0.472642 0.503376
N 4.793258 0.921096 -0.112472
N -8.297263 -1.613284 0.174707
N -8.413712 0.761313 0.538462
N -6.444163 -2.751273 -0.735223
N -10.254149 -0.604003 1.041958
C -3.897794 0.053781 0.062238
C -4.994402 -0.081416 -1.029225
C 6.181674 1.090530 0.322326
C -2.518431 0.358532 -0.549995
C 6.851956 -0.240543 0.785403
C -6.373348 -0.288434 -0.441125
C 6.881799 -1.305927 -0.323054
C -0.155449 0.565140 0.214754
C -6.996442 -1.523589 -0.363368
C 2.406496 0.712223 0.320106
C 3.774685 0.814592 0.835357
C 6.949083 1.736787 -0.824042
C -7.062505 0.906251 0.102791
C 0.461686 0.565470 -1.048406
C 1.886678 0.646333 -0.972107
C 7.452041 -2.624916 0.156024
C -8.961160 -0.439538 0.571184
H -4.201438 0.878364 0.734499
H -3.839111 -0.874006 0.665266
H -5.015265 0.863219 -1.605628
H -4.725084 -0.892152 -1.738367
H 6.206907 1.773009 1.195518
H -2.573233 1.295903 -1.145131
H -2.220592 -0.454582 -1.244614
H 7.873867 -0.017970 1.138269
H 6.275136 -0.605125 1.651657
H -1.820904 0.626441 1.458670
H 5.859974 -1.495778 -0.705443
H 7.477438 -0.982369 -1.199117
H 4.594388 1.091157 -1.101945
H -0.089771 0.529086 -1.989410
H 2.513092 0.657113 -1.870012
H -8.634222 -2.525851 0.488145
H -5.463437 -2.776683 -1.000340
H -7.038499 -3.495906 -1.096679
H 8.725863 2.474849 -1.223937
H -10.814812 -1.427263 0.836056
H -10.715227 0.243161 1.367633
H 7.890593 -4.409217 -0.553756


