%chk=000135643.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000135643

0 1
 S    3.824100       1.567000      -1.577400    
 O    4.697000       2.664600      -1.209700    
 O    2.482100       1.818200      -2.066700    
 N   0.3226000     -0.3897000     -7.2200000E-02
 N   -3.691400      0.8128000     -0.1722000    
 N    3.724100      0.4487000     -0.2969000    
 C   -1.038600      1.8100001E-02 -0.1062000    
 C   -1.986100     -0.7820000     -0.7527000    
 C   -1.418900       1.215900      0.5075000    
 C    1.050900      -1.169800      0.8356000    
 C    2.412300      -1.432300      0.6370000    
 C   -3.319800     -0.3401000     -0.7617000    
 C   -2.774900       1.579700      0.4494000    
 C    3.130300     -0.8850000     -0.5536000    
 C   -1.632000      -1.990500      -1.377600    
 C  -0.4879000       2.039300       1.164500    
 C   0.4101000      -1.698900       1.962700    
 C    3.121300      -2.211300       1.551400    
 C   -4.267800      -1.132200      -1.403800    
 C   -3.159700       2.771100       1.058500    
 C    1.119200      -2.477900       2.877100    
 C   -2.598800      -2.764200      -2.012700    
 C  -0.8984000       3.225400       1.765500    
 C    2.474700      -2.734100       2.671400    
 C   -3.919400      -2.333700      -2.025700    
 C   -2.237100       3.591800       1.712200    
 C    4.661800      0.5890000      -2.803800    
 H   0.8824000      0.1551000     -0.7202000    
 H    3.949800      -1.563800     -0.8247000    
 H    2.474600     -0.8718000      -1.430100    
 H  -0.6076000      -2.353700      -1.390800    
 H   0.5676000       1.785800       1.220600    
 H  -0.6448000      -1.517400       2.151100    
 H    4.178500      -2.417600       1.406100    
 H    4.515400      0.4256000      0.3600000    
 H   -5.309300     -0.8165000      -1.427800    
 H   -4.203100       3.080200       1.030400    
 H   0.6161000      -2.884900       3.749400    
 H    3.026900      -3.340000       3.383800    
 H   -2.322600      -3.696500      -2.495600    
 H  -0.1773000       3.860300       2.271000    
 H   -4.681700      -2.929700      -2.518800    
 H   -2.568000       4.515600       2.177700    
 H    5.606500      0.2327000      -2.388800    
 H    4.027800     -0.2411000      -3.116900    
 H    4.861400       1.234300      -3.662700    


%chk=000135643-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000135643

0 1
S 4.051632 1.287915 -0.498038
O 4.770150 1.730009 0.890529
O 2.476393 1.651837 -0.791492
N 0.437681 -0.200323 -0.069344
N -3.742080 0.860818 -0.200304
N 4.300089 -0.562109 -0.772600
C -0.935858 0.121810 -0.097770
C -1.943330 -0.864407 -0.381213
C -1.343686 1.487675 0.089137
C 1.025772 -1.291695 0.622790
C 2.285137 -1.826808 0.198107
C -3.339562 -0.436301 -0.388026
C -2.766871 1.802019 0.007631
C 3.023634 -1.324982 -1.031657
C -1.651099 -2.233292 -0.715847
C -0.420910 2.555254 0.373534
C 0.390308 -1.851634 1.769095
C 2.858496 -2.898376 0.932388
C -4.368005 -1.413155 -0.639257
C -3.190240 3.167426 0.175495
C 0.979654 -2.913445 2.477068
C -2.671331 -3.144531 -0.978400
C -0.869871 3.864611 0.534206
C 2.225823 -3.446581 2.065167
C -4.047204 -2.736711 -0.920633
C -2.267036 4.177390 0.426657
C 5.029521 1.999067 -1.956522
H 1.100105 0.541108 -0.364738
H 3.363369 -2.182440 -1.644586
H 2.377332 -0.703463 -1.675852
H -0.610824 -2.563129 -0.773385
H 0.649101 2.347797 0.471155
H -0.564818 -1.433217 2.100386
H 3.809520 -3.326094 0.585810
H 4.742665 -0.865792 0.120850
H -5.402276 -1.056352 -0.614298
H -4.264011 3.364318 0.099501
H 0.470641 -3.320998 3.357408
H 2.684831 -4.276390 2.611891
H -2.423973 -4.179648 -1.238689
H -0.151193 4.662186 0.752041
H -4.839022 -3.468341 -1.116517
H -2.602088 5.212968 0.553538
H 6.072239 1.689727 -1.807301
H 4.588832 1.564648 -2.862924
H 4.894660 3.088133 -1.901390


