%chk=000033313.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000033313

0 1
 S   9.2000000E-02  0.2165000       2.264000    
 N   -4.587400       1.312700     -9.0800002E-02
 C   0.2644000      0.3475000      0.4060000    
 C  -0.7862000       1.329700     -0.1122000    
 C   3.3599999E-02  -1.064700     -0.1122000    
 C  -0.2586000      -2.033400      0.8605000    
 C    1.643100      0.8428000      0.1028000    
 C  -0.3074000      -1.559100       2.277000    
 C   -2.199300      0.8192000      0.1560000    
 C   9.0300001E-02  -1.427300      -1.460400    
 C   -3.242800       1.821400     -0.3344000    
 C  -0.4894000      -3.357200      0.4911000    
 C    2.700200     -5.9799999E-02  1.6200000E-02
 C    1.863300       2.204100     -9.2000000E-02
 C  -0.1398000      -2.753600      -1.827900    
 C  -0.4283000      -3.714800     -0.8559000    
 C    3.985600      0.4019000     -0.2667000    
 C    3.148900       2.665600     -0.3751000    
 C    4.210000       1.764400     -0.4624000    
 C   -5.592200       2.244000     -0.5837000    
 H  -0.7209000       2.308500      0.3783000    
 H  -0.6706000       1.498200      -1.191900    
 H   -1.307000      -1.698300       2.698500    
 H   0.4287000      -2.086800       2.890200    
 H   -2.377900     -0.1314000     -0.3597000    
 H   -2.377300      0.6474000       1.222600    
 H   0.3101000     -0.6895000      -2.226600    
 H   -3.103100       2.779300      0.1815000    
 H   -3.098200       1.993200      -1.408100    
 H  -0.7161000      -4.109300       1.241000    
 H    2.579600      -1.124900      0.1889000    
 H    1.095000       2.963400     -2.0500001E-02
 H  -9.6000001E-02  -3.040200      -2.874900    
 H  -0.6072000      -4.744900      -1.151000    
 H   -4.722700       1.166000      0.9091000    
 H    4.813400     -0.2985000     -0.3280000    
 H    3.325900       3.727000     -0.5229000    
 H    5.211400       2.124100     -0.6801000    
 H   -5.498200       2.394600      -1.664100    
 H   -5.524000       3.213400     -7.9200000E-02
 H   -6.590200       1.836500     -0.3948000    


%chk=000033313-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000033313

0 1
S 0.202956 0.125986 2.341717
N -4.673618 1.362552 0.057946
C 0.316299 0.344621 0.401953
C -0.819591 1.296214 -0.073598
C 0.099094 -1.079371 -0.125967
C -0.353900 -2.060254 0.788030
C 1.723826 0.876985 0.078002
C -0.548259 -1.608812 2.223127
C -2.254459 0.809104 0.207791
C 0.292234 -1.419448 -1.486105
C -3.310307 1.822630 -0.275769
C -0.610051 -3.379170 0.344700
C 2.850051 0.042399 0.315381
C 1.951953 2.174618 -0.446073
C 0.033655 -2.734861 -1.928939
C -0.417765 -3.716250 -1.013760
C 4.157370 0.485467 0.035844
C 3.264775 2.624442 -0.724806
C 4.372820 1.784252 -0.486145
C -5.752426 2.261267 -0.390627
H -0.677450 2.282331 0.409839
H -0.698004 1.449580 -1.167455
H -1.618794 -1.563518 2.492697
H -0.025432 -2.261685 2.942518
H -2.447425 -0.161514 -0.284088
H -2.369293 0.655562 1.300944
H 0.660001 -0.662503 -2.188447
H -3.078104 2.833698 0.153188
H -3.247857 1.927615 -1.378457
H -0.956057 -4.138728 1.055809
H 2.689955 -0.957550 0.733042
H 1.113439 2.848389 -0.644298
H 0.189491 -2.998212 -2.981011
H -0.612029 -4.738392 -1.357361
H -4.752938 1.131781 1.057634
H 5.009552 -0.176184 0.228548
H 3.417287 3.632481 -1.127354
H 5.389251 2.133203 -0.700511
H -5.760384 2.304881 -1.496062
H -5.664982 3.312190 -0.016534
H -6.730187 1.861901 -0.067143


