%chk=000076840.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000076840

0 1
 S    5.120500     -0.3347000      4.9699999E-02
 O    5.557700     -0.3235000       1.438400    
 O    5.651300      -1.334400     -0.8670000    
 O   -2.305400       2.989500      0.7619000    
 N   -2.950300     -0.1440000     -0.2833000    
 N   -1.548500      -1.718500      0.4645000    
 N  -0.1143000       3.342500      0.1664000    
 C   -1.682900      0.3469000     -0.4650000    
 C  -0.8430000     -0.6371000      7.9999998E-04
 C   0.5861000     -0.5644000      1.2500000E-02
 C   -2.816200      -1.407200      0.2868000    
 C   -1.402100       1.673800      -1.050400    
 C    3.376800     -0.4232000      3.5500001E-02
 C   -4.178200      0.4402000     -0.5820000    
 C    1.253000     -3.5999998E-02   1.120500    
 C    1.321200      -1.021900      -1.084100    
 C   -4.017700      -2.120600      0.5706000    
 C    2.646000      3.4600001E-02   1.132000    
 C    2.714300     -0.9515000      -1.072700    
 C   -5.305300     -0.2382000     -0.3121000    
 C   -5.209100      -1.561100      0.2840000    
 C   -1.341300       2.730700      4.4599999E-02
 C    5.487500       1.258000     -0.6517000    
 H   -2.158400       1.983100      -1.778900    
 H  -0.4557000       1.648800      -1.603200    
 H   -4.198100       1.428900      -1.021600    
 H   0.6985000      0.3270000       1.982900    
 H   0.8203000      -1.435200      -1.956600    
 H   -3.958500      -3.107800       1.015000    
 H    3.140400      0.4567000       2.002400    
 H    3.263200      -1.307600      -1.939800    
 H   -6.285000      0.1722000     -0.5237000    
 H   -6.133800      -2.088200      0.4927000    
 H    5.035400       2.032600     -2.9400000E-02
 H    6.572800       1.379500     -0.6673000    
 H    5.093600       1.297700      -1.669000    
 H   0.6758000       3.107200     -0.4256000    
 H   4.2599998E-02   4.058200      0.8683000    


%chk=000076840-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000076840

0 1
S 5.366700 -0.290442 0.200531
O 5.748067 0.820218 1.343581
O 5.907988 -1.833759 0.254997
O -3.136696 3.051166 1.070903
N -2.975653 -0.037039 -0.299866
N -1.424201 -1.725464 -0.158095
N -0.920078 3.710579 1.243354
C -1.717269 0.584272 -0.246694
C -0.786069 -0.480904 -0.139231
C 0.682645 -0.410085 -0.046082
C -2.751551 -1.455709 -0.251187
C -1.533615 2.055526 -0.506973
C 3.476180 -0.336864 0.076448
C -4.256159 0.504403 -0.375825
C 1.350202 0.685012 0.571802
C 1.455822 -1.494963 -0.549731
C -3.875737 -2.324884 -0.308426
C 2.759042 0.732989 0.633579
C 2.863230 -1.468838 -0.488421
C -5.341634 -0.356819 -0.446310
C -5.156763 -1.781648 -0.415791
C -1.938029 2.972763 0.669555
C 5.942613 0.432189 -1.479424
H -2.174689 2.358262 -1.359761
H -0.488511 2.231525 -0.812064
H -4.335211 1.591042 -0.302001
H 0.763312 1.463887 1.069538
H 0.926724 -2.355463 -0.969592
H -3.695125 -3.401481 -0.265307
H 3.294110 1.542785 1.141779
H 3.468914 -2.311233 -0.839272
H -6.345831 0.071427 -0.498094
H -6.029794 -2.439708 -0.460953
H 5.505557 1.436360 -1.564315
H 7.039025 0.460550 -1.409619
H 5.594286 -0.255385 -2.262132
H 0.038645 3.680588 0.901349
H -1.147247 4.328147 2.023849


