%chk=000043156.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000043156

0 1
 S   -5.071400      -1.084400     -0.1889000    
 O   -6.293500      -1.737400     -0.6193000    
 O   -4.846500     -0.7916000       1.212800    
 O  -0.4105000      -2.062800       2.629400    
 N   -3.733600      -1.934500     -0.8626000    
 N    1.429700     -0.6898000       1.002300    
 N    4.653500       1.287100     -0.8052000    
 C   -4.958100      0.4448000      -1.090700    
 C   -6.056700       1.413000     -0.6800000    
 C    2.523000     -1.9500000E-02  0.3894000    
 C   -5.970100       2.717500      -1.469600    
 C    3.465600     -0.7526000     -0.3387000    
 C    2.646700       1.367500      0.5195000    
 C   -2.425100      -1.619900     -0.3861000    
 C   0.1421000      -1.004200      0.5484000    
 C    4.529700     -4.8700001E-02 -0.9276000    
 C    3.742800       1.988400     -0.1029000    
 C  -0.7650000      -1.687500       1.367900    
 C   -2.043600      -1.994000      0.9024000    
 C   -1.527900     -0.9390000      -1.209000    
 C  -0.2493000     -0.6323000     -0.7436000    
 C   -7.042500       3.703900      -1.035400    
 C    3.365900      -2.147000     -0.4859000    
 C    1.714100       2.129100       1.245200    
 C    5.471400     -0.7728000      -1.653700    
 C    3.871500       3.369100      2.3100000E-02
 C    4.320500      -2.847600      -1.217100    
 C    1.865600       3.508000       1.356000    
 C    5.375300      -2.158800      -1.802000    
 C    2.946600       4.129000      0.7436000    
 C  -0.6702000      -1.132900       3.678500    
 H   -5.030200      0.2045000      -2.156300    
 H   -3.977000      0.8825000     -0.8839000    
 H   -7.039600      0.9527000     -0.8387000    
 H   -5.980700       1.626400      0.3932000    
 H   -6.080600       2.512400      -2.540800    
 H   -4.984100       3.174900      -1.326700    
 H   -3.781400      -2.088100      -1.878900    
 H    1.647500      -1.025200       1.935900    
 H   -2.732300      -2.537000       1.545400    
 H   -1.815000     -0.6414000      -2.214300    
 H   0.4267000     -0.1007000      -1.408200    
 H   -8.043400       3.289700      -1.193100    
 H   -6.962800       4.629500      -1.614100    
 H   -6.937800       3.956100      2.4700001E-02
 H    2.556600      -2.717500     -3.7599999E-02
 H   0.8598000       1.675000       1.740200    
 H    6.307300     -0.2559000      -2.121700    
 H    4.710100       3.879000     -0.4477000    
 H    4.242000      -3.924700      -1.328400    
 H    1.144600       4.093800       1.917900    
 H    6.125900      -2.695900      -2.374400    
 H    3.074300       5.204500      0.8241000    
 H  -0.3058000      -1.563100       4.615400    
 H  -0.1468000     -0.1882000       3.501100    
 H   -1.746000     -0.9531000       3.771500    


%chk=000043156-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000043156

0 1
S -5.290353 -0.907558 -0.740312
O -6.657942 -1.332978 -1.518393
O -5.135083 -1.155769 0.867181
O -0.482073 -2.011296 2.092994
N -3.699756 -1.976525 -1.611542
N 1.321840 -0.734938 0.681607
N 4.870329 1.295852 -0.675669
C -5.038384 1.024009 -1.018385
C -5.956365 1.802494 -0.076396
C 2.463994 -0.048964 0.201886
C -5.761965 3.332713 -0.245105
C 3.733003 -0.712423 0.263251
C 2.405617 1.301951 -0.270268
C -2.447606 -1.588406 -1.098353
C 0.094283 -0.951374 0.042966
C 4.917094 0.023011 -0.168839
C 3.649350 1.915999 -0.731571
C -0.902217 -1.665012 0.796700
C -2.141006 -1.990987 0.240185
C -1.472220 -0.858227 -1.843407
C -0.209567 -0.577897 -1.293373
C -6.687947 4.132005 0.697860
C 3.890171 -2.073166 0.703718
C 1.211758 2.105186 -0.249786
C 6.203358 -0.616782 -0.084543
C 3.613969 3.263436 -1.239126
C 5.151593 -2.661827 0.765738
C 1.223263 3.414265 -0.723616
C 6.321612 -1.923006 0.380021
C 2.431038 3.994314 -1.243985
C -1.435562 -2.739918 2.940949
H -5.277272 1.148686 -2.087676
H -3.964587 1.180550 -0.819522
H -7.011639 1.538929 -0.281938
H -5.742674 1.512177 0.969604
H -5.964352 3.620403 -1.296237
H -4.704762 3.596689 -0.040729
H -3.822182 -1.728981 -2.615714
H 1.421241 -1.261313 1.556341
H -2.902099 -2.545327 0.793295
H -1.696624 -0.545437 -2.870574
H 0.545691 -0.063530 -1.893286
H -7.751006 3.906512 0.494478
H -6.541898 5.220058 0.571196
H -6.487249 3.882988 1.756226
H 3.006312 -2.664996 0.966308
H 0.289664 1.682179 0.158155
H 7.070633 -0.032015 -0.405646
H 4.559413 3.681842 -1.597394
H 5.254375 -3.700848 1.097101
H 0.307273 4.014310 -0.690886
H 7.305572 -2.400769 0.439151
H 2.417899 5.021350 -1.624791
H -0.927025 -2.864125 3.907804
H -2.366337 -2.158100 3.071256
H -1.671292 -3.729114 2.505892


