%chk=000178592.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000178592

0 1
 S  -0.7007000      -1.366000     -0.6984000    
 P   0.2253000     -0.1590000      0.7426000    
 O  -2.3600001E-02  -2.674600     -0.4168000    
 N    1.788700     -0.1055000      8.2400002E-02
 N  -0.4959000       1.331200      0.3653000    
 C    2.642600      -1.279500      0.2634000    
 C    2.627100       1.037900      0.4433000    
 C  -0.6275000       1.669100      -1.052200    
 C   -1.804700       1.619900      0.9516000    
 C    3.983100     -0.8272000     -0.2954000    
 C    3.988900      0.6878000     -0.1405000    
 C   -1.466100       2.939800      -1.045600    
 C   -2.206700       2.926800      0.2851000    
 C   -2.393600      -1.481900     -7.3799998E-02
 C   -2.391900      -1.753500       1.424800    
 C   -3.145000      -2.565200     -0.8358000    
 H    2.308000      -2.167500     -0.2783000    
 H    2.753200      -1.541000       1.324300    
 H    2.715000       1.148300       1.532800    
 H    2.268800       1.987200      3.0600000E-02
 H   -1.182100      0.9467000      -1.658300    
 H   0.3358000       1.852800      -1.541100    
 H   -1.735600       1.759200       2.037300    
 H   -2.596800      0.9052000      0.7716000    
 H    4.069000      -1.089800      -1.356600    
 H    4.819700      -1.293600      0.2345000    
 H    4.800700       1.023600      0.5129000    
 H    4.128000       1.160800      -1.119700    
 H   -2.160600       2.967800      -1.891800    
 H  -0.8280000       3.829200      -1.106600    
 H   -1.892900       3.784300      0.8923000    
 H   -3.290500       2.994900      0.1460000    
 H   -2.917700     -0.5616000     -0.3240000    
 H   -3.412200      -1.984100       1.756000    
 H   -1.774600      -2.621100       1.685500    
 H   -2.074200     -0.9122000       2.042500    
 H   -3.136300      -2.371300      -1.914300    
 H   -4.191400      -2.610700     -0.5151000    
 H   -2.702900      -3.554900     -0.6736000    


%chk=000178592-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000178592

0 1
S -1.084545 -1.036438 -1.004633
P -0.341859 0.516403 1.127449
O 0.383039 -1.862612 -1.220018
N 1.334202 0.166887 0.821498
N -0.639661 2.080455 0.382631
C 1.975474 -0.997976 1.509325
C 2.199712 0.676947 -0.282872
C -0.410310 2.495853 -1.032494
C -1.638398 2.977348 1.048772
C 3.076016 -1.441803 0.522463
C 3.527726 -0.099960 -0.106877
C -1.557838 3.491136 -1.322356
C -1.794999 4.155495 0.057268
C -2.217516 -2.316873 -0.004628
C -1.313052 -3.094526 0.951387
C -2.923182 -3.202497 -1.043796
H 1.244572 -1.800718 1.702168
H 2.409296 -0.670196 2.477757
H 2.336076 1.770595 -0.192946
H 1.739503 0.440014 -1.260454
H -0.430500 1.618479 -1.703960
H 0.573297 2.994082 -1.145501
H -1.276009 3.308681 2.038752
H -2.612114 2.462341 1.195374
H 2.618552 -2.083182 -0.249270
H 3.897491 -1.981725 1.024627
H 4.204104 0.442305 0.580782
H 4.049075 -0.235552 -1.069562
H -2.464183 2.946085 -1.645302
H -1.292098 4.217355 -2.109544
H -1.018979 4.918983 0.249513
H -2.782881 4.639348 0.142001
H -2.931589 -1.653277 0.516208
H -1.809066 -4.022014 1.293601
H -0.381432 -3.366577 0.413841
H -1.044377 -2.493437 1.838679
H -3.527839 -2.606789 -1.750635
H -3.594292 -3.923415 -0.537231
H -2.179017 -3.776924 -1.625115


