%chk=000129924.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000129924

0 1
 S  -0.1844000      -1.938200       2.210400    
 O   -1.271800       1.157700     -0.5752000    
 O  -0.2557000       1.630400      -2.600900    
 O    4.102600      -1.304900       1.163100    
 O    4.820100     -0.6407000     -0.8104000    
 N    2.615300       2.762700      0.6458000    
 N    4.089900     -0.5465000      0.1849000    
 N   0.3795000      -3.819300      -1.815300    
 C    1.820400      0.2562000     -0.4573000    
 C   0.9897000       1.542300     -0.5863000    
 C    1.058700     -0.7672000      0.3066000    
 C    3.155200      0.5276000      0.2065000    
 C    1.399500       2.705100     -2.4100000E-02
 C    3.517100       1.711100      0.7360000    
 C   0.6544000      -2.032200     -0.2333000    
 C   0.6708000     -0.5902000       1.612100    
 C  -0.2364000       1.455200      -1.396800    
 C  -4.4799998E-02  -2.784200      0.7152000    
 C   0.6348000       4.001400     -5.7999998E-02
 C    4.813200       2.040500       1.425200    
 C   0.8503000      -2.590200      -1.506600    
 C   -2.543500       1.037700      -1.221100    
 C  -0.5390000      -4.058400      0.4120000    
 C   -3.596300      0.7063000     -0.1904000    
 C   -2.858100       2.330000      -1.966500    
 C  -0.2892000      -4.510500     -0.8717000    
 C   -3.455600       1.185800       1.102000    
 C   -4.683900     -7.0600003E-02 -0.5564000    
 C   -4.428000      0.8799000       2.054000    
 C   -5.656400     -0.3762000      0.3957000    
 C   -5.528400      9.9100001E-02   1.700900    
 H    2.027400     -7.9999998E-02  -1.481500    
 H    2.888100       3.652000       1.049100    
 H   0.8424000      0.2634000       2.253300    
 H    1.232800       4.780100     -0.5436000    
 H   0.4037000       4.329200      0.9613000    
 H  -0.3106000       3.927300     -0.6015000    
 H    5.496500       1.189500       1.492000    
 H    4.619200       2.384800       2.446900    
 H    5.334000       2.839300      0.8861000    
 H   -2.479700      0.2013000      -1.930200    
 H    1.379100      -2.082700      -2.305000    
 H   -1.083300      -4.656300       1.133200    
 H   -2.622400       3.210100      -1.357500    
 H   -3.922500       2.381700      -2.225300    
 H   -2.323000       2.430900      -2.913100    
 H  -0.6398000      -5.489100      -1.185100    
 H   -2.614400       1.805800       1.397800    
 H   -4.793400     -0.4437000      -1.570500    
 H   -4.330000       1.252100       3.069600    
 H   -6.513600     -0.9838000      0.1207000    
 H   -6.286100     -0.1383000       2.441900    


%chk=000129924-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000129924

0 1
S 1.353178 -3.149818 2.260270
O -1.569073 1.597484 -0.581923
O -0.537789 -0.071430 -1.851707
O 5.571380 0.404847 -0.328037
O 4.150325 -0.944669 -1.505432
N 2.165627 2.205217 1.388281
N 4.371511 -0.000848 -0.638049
N 0.791065 -4.088809 -2.224450
C 1.868797 0.014716 -0.406287
C 0.738137 1.018433 -0.123640
C 1.617310 -1.326487 0.306068
C 3.215701 0.604737 -0.011437
C 0.889879 2.016331 0.819922
C 3.344367 1.615331 0.927780
C 1.274551 -2.577482 -0.363409
C 1.692354 -1.474949 1.676088
C -0.478047 0.785445 -0.925939
C 1.097200 -3.668826 0.543610
C -0.154547 2.991301 1.321390
C 4.617152 2.183002 1.511277
C 1.102928 -2.854883 -1.750474
C -2.848572 1.370479 -1.377786
C 0.772278 -4.957190 0.077167
C -3.985179 1.576254 -0.388729
C -2.811817 2.291481 -2.600580
C 0.632880 -5.109799 -1.318867
C -4.709478 2.790608 -0.298402
C -4.322202 0.513066 0.489181
C -5.746069 2.940493 0.650881
C -5.354210 0.659818 1.440531
C -6.070247 1.877508 1.524329
H 1.882658 -0.193123 -1.489421
H 2.257188 2.933438 2.098193
H 1.932921 -0.718114 2.421734
H -0.476320 3.674642 0.517407
H 0.240061 3.595973 2.159076
H -1.062044 2.465315 1.653761
H 5.257601 1.386711 1.922551
H 4.388147 2.917697 2.305892
H 5.222762 2.674706 0.731637
H -2.813209 0.316680 -1.711021
H 1.205784 -2.061577 -2.495598
H 0.634373 -5.809124 0.748978
H -2.690346 3.349528 -2.310462
H -3.745139 2.191683 -3.183450
H -1.968068 2.010246 -3.252245
H 0.384481 -6.087725 -1.745735
H -4.473259 3.622324 -0.970883
H -3.770221 -0.432751 0.422823
H -6.301772 3.883305 0.707070
H -5.604740 -0.171449 2.108756
H -6.875848 1.993556 2.258012


