%chk=000132160.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000132160

0 1
 S    1.919400       3.083300      0.2346000    
 S    5.019100      -3.131500      0.2150000    
 O    2.602500       3.924700       1.200000    
 O    1.577500       3.624400      -1.068000    
 O    6.117600      -4.061000      2.7600000E-02
 O    4.548800      -2.805500       1.546700    
 N   -2.827200       1.811000     -0.6713000    
 N   0.5121000       2.400500      0.9656000    
 N   -3.533300     -0.4123000     -0.9642000    
 N   -4.457800      0.7148000      0.7137000    
 N    5.355300      -1.702900     -0.6861000    
 C   -1.831600       2.437700      0.2164000    
 C  -0.4820000       1.749900      8.2000002E-02
 C   -3.600000      0.7698000     -0.2806000    
 C   -4.406200      -1.288500     -0.3718000    
 C    2.939800       1.661700     -3.8500000E-02
 C   -4.970700     -0.5613000      0.6727000    
 C   -2.921700       2.408600      -2.015300    
 C   0.6881000       1.666600       2.246400    
 C   -2.698200     -0.7032000      -2.109400    
 C   -4.740400      -2.613900     -0.6514000    
 C    2.830700      0.9761000      -1.234000    
 C    3.823400       1.268500      0.9493000    
 C   -5.926900      -1.177500       1.497500    
 C    4.532400     -0.5571000     -0.4657000    
 C    3.634300     -0.1435000      -1.449400    
 C    4.626900      0.1489000      0.7337000    
 C   -5.694000      -3.211400      0.1795000    
 C   -6.277800      -2.507700       1.235300    
 C    3.640000      -3.769300     -0.7101000    
 H   -1.734500       3.505800     -1.6000001E-02
 H   -2.180200       2.388600       1.256000    
 H  -0.1578000       1.787800     -0.9631000    
 H  -0.5659000      0.6829000      0.3225000    
 H   -2.023900       2.183300      -2.599200    
 H   -3.797500       2.038800      -2.559600    
 H   -3.024100       3.496500      -1.940400    
 H    1.369200       2.208500       2.908300    
 H    1.070200      0.6569000       2.073200    
 H  -0.2742000       1.595000       2.763400    
 H   -3.203200     -0.3374000      -3.006300    
 H   -2.541800      -1.781800      -2.186000    
 H   -1.722900     -0.2281000      -1.983500    
 H   -4.293700      -3.165000      -1.470800    
 H    2.134700       1.278800      -2.009800    
 H    3.910000       1.803100       1.890000    
 H   -6.386400     -0.6393000       2.320400    
 H    3.550500     -0.6875000      -2.386800    
 H    5.330200     -0.1539000       1.505100    
 H   -5.986300      -4.242900     -1.2000001E-03
 H   -7.016200      -2.999000       1.863800    
 H    5.599100      -1.857100      -1.673700    
 H    3.361900      -4.732400     -0.2760000    
 H    3.942000      -3.907500      -1.749900    
 H    2.800700      -3.076500     -0.6316000    


%chk=000132160-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000132160

0 1
S 2.352502 3.376418 0.168644
S 3.011379 -3.926204 0.181826
O 3.254526 3.857602 1.435493
O 2.367775 4.130272 -1.271789
O 3.237364 -5.208877 -0.784630
O 3.925306 -3.676774 1.498582
N -2.621152 2.042044 -0.814338
N 0.515051 3.462795 0.771793
N -2.956549 -0.334657 -1.355707
N -2.270134 0.219170 0.772452
N 3.150207 -2.537787 -0.995461
C -1.802959 2.930711 0.053445
C -0.301054 2.638793 -0.162217
C -2.631457 0.694307 -0.440714
C -2.811938 -1.549158 -0.658601
C 2.714026 1.558336 -0.173538
C -2.366552 -1.183410 0.659462
C -3.878282 2.654935 -1.312406
C 0.443022 3.045762 2.196859
C -3.181609 -0.199171 -2.795607
C -3.008706 -2.888673 -1.046241
C 2.645844 1.113568 -1.505787
C 2.999510 0.696043 0.899257
C -2.116260 -2.189120 1.619553
C 3.058417 -1.167763 -0.694901
C 2.818197 -0.257219 -1.767203
C 3.180522 -0.676814 0.638461
C -2.745489 -3.882291 -0.073428
C -2.312284 -3.537028 1.239097
C 1.177601 -3.808015 0.709231
H -2.015156 3.975790 -0.228561
H -2.077829 2.785294 1.116195
H -0.031403 2.920419 -1.195523
H -0.127109 1.550372 -0.016719
H -3.640688 3.528459 -1.943482
H -4.450180 1.935176 -1.918345
H -4.529621 2.986950 -0.475963
H 1.329380 3.441641 2.722642
H 0.368695 1.945515 2.335426
H -0.449156 3.519362 2.643797
H -4.256465 -0.221839 -3.056084
H -2.676085 -1.024620 -3.326290
H -2.746784 0.754103 -3.138344
H -3.360676 -3.162648 -2.046676
H 2.460447 1.831157 -2.312135
H 3.115214 1.089324 1.914594
H -1.798893 -1.919021 2.631799
H 2.748832 -0.630084 -2.795227
H 3.457950 -1.357730 1.449393
H -2.895141 -4.936768 -0.330309
H -2.147473 -4.334201 1.973049
H 3.381082 -2.876915 -1.934479
H 1.044767 -4.591226 1.468264
H 0.584153 -3.989202 -0.195897
H 1.025313 -2.799604 1.116287


