%chk=000022782.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000022782

1 1
 N   -3.136400      0.3968000       1.179300    
 N    2.540100     -0.6905000     -8.9999998E-04
 C   -3.200000      0.5212000      -1.169200    
 C    3.803000       1.347100      0.1110000    
 C   -2.464400      0.8315000      0.1539000    
 C    2.391800      0.6951000      8.7700002E-02
 C   -4.416900     -0.1758000     -0.6354000    
 C    4.698500      0.1198000      1.9800000E-02
 C   -4.329300     -0.2224000      0.7524000    
 C    3.894800      -1.034700     -4.3200001E-02
 C   -2.368500     -0.4092000      -2.055600    
 C   -3.573800       1.810000      -1.905600    
 C    4.059000       2.100100       1.423700    
 C    4.025800       2.263200      -1.100200    
 C   -1.180100       1.528600      0.1822000    
 C    1.255300       1.406600      0.1453000    
 C   -5.504900     -0.7209000      -1.296800    
 C    6.083200      4.2700000E-02 -5.1000002E-03
 C  -5.5599999E-02  0.8053000      0.1240000    
 C   -5.316000     -0.8098000       1.527700    
 C   -2.826800      0.4663000       2.616300    
 C    4.482800      -2.286900     -0.1330000    
 C    1.516400      -1.712100     -5.8800001E-02
 C   -6.510800      -1.318000     -0.5333000    
 C    6.671700      -1.218600     -9.5100001E-02
 C   -6.416900      -1.361700      0.8676000    
 C    5.878100      -2.373600     -0.1585000    
 H   -2.940100     -0.7443000      -2.928800    
 H   -2.045700      -1.304600      -1.511000    
 H   -1.467500      9.1499999E-02  -2.426700    
 H   -4.132400       2.496100      -1.257500    
 H   -4.195600       1.604100      -2.784200    
 H   -2.680000       2.343800      -2.247700    
 H    3.898800       1.455700       2.296700    
 H    5.089700       2.469900       1.477100    
 H    3.395600       2.966600       1.524500    
 H    5.055400       2.638100      -1.132900    
 H    3.841300       1.736300      -2.044300    
 H    3.362000       3.134600      -1.071100    
 H   -1.189500       2.610400      0.2447000    
 H    1.302200       2.490500      0.2116000    
 H   -5.581300     -0.6888000      -2.378200    
 H    6.698900      0.9341000      4.3600000E-02
 H  -0.2119000     -0.2534000      7.2899997E-02
 H   -5.259800     -0.8526000       2.609700    
 H   -1.877700      0.9883000       2.762600    
 H   -2.742800     -0.5507000       3.009800    
 H   -3.621600       1.020200       3.124100    
 H    3.910200      -3.205000     -0.1837000    
 H   0.9194000      -1.722500      0.8594000    
 H    1.913900      -2.727800     -0.1366000    
 H   0.8934000      -1.594500     -0.9520000    
 H   -7.375600      -1.753400      -1.026600    
 H    7.754300      -1.309000     -0.1165000    
 H   -7.210400      -1.830900       1.443200    
 H    6.355400      -3.347700     -0.2284000    


%chk=000022782-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000022782

1 1
N -3.025891 -0.455592 0.621383
N 2.991944 -0.945723 0.464788
C -3.675200 1.048540 -1.107729
C 3.860611 1.104323 -0.382065
C -2.509255 0.418380 -0.310425
C 2.604123 0.242853 -0.114512
C -4.887391 0.346744 -0.501232
C 4.971630 0.226289 0.187818
C -4.457491 -0.539198 0.514130
C 4.412739 -0.974609 0.684069
C -3.539660 0.743635 -2.629262
C -3.734065 2.588967 -0.868722
C 3.769692 2.468637 0.364065
C 4.050651 1.336754 -1.912766
C -1.163626 0.755800 -0.565136
C 1.308394 0.688203 -0.449967
C -6.254120 0.461389 -0.795209
C 6.355457 0.439099 0.272229
C 0.038404 0.170163 -0.102610
C -5.350711 -1.336176 1.252587
C -2.273690 -1.161103 1.666326
C 5.190545 -1.983343 1.280513
C 2.129159 -2.098028 0.753036
C -7.177460 -0.326804 -0.061140
C 7.164372 -0.564775 0.864579
C -6.728307 -1.213604 0.947213
C 6.586424 -1.757748 1.362304
H -4.412643 1.151617 -3.167923
H -3.494073 -0.342157 -2.820582
H -2.631605 1.212116 -3.047965
H -3.820972 2.828627 0.204905
H -4.613494 3.008814 -1.387298
H -2.834074 3.087974 -1.269862
H 3.630802 2.326367 1.449474
H 4.702107 3.038926 0.208575
H 2.930883 3.075184 -0.020598
H 4.987108 1.894546 -2.087033
H 4.111398 0.381577 -2.461916
H 3.219107 1.931686 -2.330384
H -1.047387 1.585048 -1.274794
H 1.301665 1.617918 -1.033597
H -6.610809 1.142680 -1.575096
H 6.811329 1.359604 -0.107864
H -0.015216 -0.707601 0.545546
H -5.020791 -2.035511 2.026623
H -1.524227 -0.483998 2.109589
H -1.771595 -2.062356 1.268227
H -2.964617 -1.472617 2.463327
H 4.759114 -2.905610 1.681137
H 1.576159 -1.965608 1.701464
H 2.748668 -3.003210 0.835429
H 1.415534 -2.246627 -0.074749
H -8.247771 -0.252657 -0.277050
H 8.245891 -0.416104 0.941464
H -7.454893 -1.818298 1.499084
H 7.225825 -2.518301 1.821502


