%chk=000082451.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000082451

0 1
 S    1.791500      -1.345400      0.6442000    
 N   -4.677600     -1.9800000E-02  1.1000000E-02
 N    1.709900      0.9819000     -0.4644000    
 C   -3.267500     -1.2800000E-02  8.8999998E-03
 C   -5.418200       1.220700     -0.1059000    
 C   -5.405400      -1.269100      0.1160000    
 C  -0.4789000      1.1000000E-03  4.6000001E-03
 C   -2.576300       1.193400     -0.1060000    
 C   -2.563800      -1.211900      0.1216000    
 C   0.9647000      6.8999999E-03  1.2000001E-03
 C   -1.181400       1.200200     -0.1083000    
 C   -1.168900      -1.204900      0.1195000    
 C    3.296100     -0.5862000      0.2802000    
 C    3.049800      0.6565000     -0.3115000    
 C   -5.515500       1.930300       1.234000    
 C   -5.499400      -1.964600      -1.231500    
 C    4.600500      -1.056400      0.5022000    
 C    5.671100     -0.2467000      0.1144000    
 C    4.149800       1.454800     -0.6938000    
 C    5.450900      0.9929000     -0.4759000    
 C    7.068600     -0.7209000      0.3393000    
 H   -5.016300       1.879700     -0.8840000    
 H   -6.440800       1.006100     -0.4437000    
 H   -4.996000      -1.932700      0.8859000    
 H   -6.429100      -1.067600      0.4589000    
 H   -3.062100       2.158300     -0.1975000    
 H   -3.040500      -2.181900      0.2083000    
 H  -0.6640000       2.152600     -0.1962000    
 H  -0.6828000      -2.173700      0.1831000    
 H   -6.004000       1.290900       1.977400    
 H   -4.537700       2.210900       1.635100    
 H   -6.110900       2.843500       1.133500    
 H   -5.994600      -1.321500      -1.967400    
 H   -4.519600      -2.232100      -1.636600    
 H   -6.086400      -2.884100      -1.140000    
 H    4.768400      -2.024400      0.9656000    
 H    3.989000       2.425100      -1.155200    
 H    6.287900       1.619900     -0.7737000    
 H    7.747500     -0.3279000     -0.4251000    
 H    7.421500     -0.3956000       1.323000    
 H    7.128700      -1.813500      0.2885000    


%chk=000082451-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000082451

0 1
S 1.971532 -1.719082 0.232888
N -4.728194 -0.003760 -0.016927
N 1.788923 0.959309 -0.102129
C -3.331575 -0.039031 -0.004793
C -5.471460 1.245225 -0.282751
C -5.537429 -1.214407 0.232314
C -0.441856 -0.112394 0.019259
C -2.548599 1.157607 -0.139732
C -2.613526 -1.272513 0.143010
C 1.015079 -0.106204 0.026192
C -1.149744 1.115970 -0.131415
C -1.212018 -1.299521 0.157823
C 3.481713 -0.729787 0.116971
C 3.157886 0.656526 -0.057043
C -5.716395 2.100389 0.983012
C -5.800091 -2.054958 -1.039794
C 4.816055 -1.174459 0.178124
C 5.865239 -0.228260 0.065673
C 4.209965 1.597930 -0.169154
C 5.541919 1.151042 -0.107547
C 7.317812 -0.668809 0.130967
H -4.936928 1.837423 -1.048006
H -6.443124 0.968740 -0.733997
H -5.047583 -1.833303 1.006466
H -6.502874 -0.890853 0.665151
H -3.038061 2.130575 -0.237092
H -3.152360 -2.219569 0.231538
H -0.569235 2.038484 -0.233112
H -0.707060 -2.266790 0.270856
H -6.295165 1.532798 1.734023
H -4.762522 2.401739 1.449370
H -6.284936 3.014602 0.729970
H -6.335762 -1.458204 -1.800105
H -4.853565 -2.402052 -1.489090
H -6.417803 -2.940372 -0.799921
H 5.051707 -2.235466 0.311246
H 3.964745 2.655728 -0.302678
H 6.357955 1.878606 -0.194703
H 7.870110 -0.368081 -0.779301
H 7.838274 -0.208750 0.992489
H 7.407149 -1.764067 0.231646


