%chk=000031590.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000031590

1 1
 N    3.576200     -0.1552000      0.1331000    
 N   -3.730400     -0.3529000      0.2011000    
 C    3.707600       1.052400     -0.7290000    
 C    4.847000     -0.7808000      0.5932000    
 C   -4.880400      -1.091400      0.7172000    
 C   -4.029800      0.9365000     -0.4168000    
 C    3.709300       2.294700      0.1489000    
 C    5.269100      -1.846800     -0.4066000    
 C   -5.103600      -2.370700     -8.2400002E-02
 C   -3.947000       2.060000      0.6111000    
 C    2.408200     -0.6099000      0.4458000    
 C   -2.456800     -0.7300000      0.4833000    
 C    3.879900       3.555800     -0.6833000    
 C    6.585200      -2.491100     -5.0000002E-04
 C   -5.412200      -2.103900      -1.549200    
 C   -4.207100       3.433200      7.1000000E-03
 C    1.117800     -3.0800000E-02  1.8800000E-02
 C   -1.324100     -0.1431000      7.5300001E-02
 C  -8.8999998E-03 -0.6260000      0.4328000    
 H    4.658600      0.9691000      -1.269100    
 H    2.928900       1.063400      -1.497000    
 H    5.603000      4.9999999E-03  0.6970000    
 H    4.671100      -1.213300       1.584800    
 H   -5.791900     -0.4810000      0.6943000    
 H   -4.716000      -1.343800       1.772600    
 H   -5.035900      0.9216000     -0.8560000    
 H   -3.361800       1.132800      -1.264000    
 H    2.775400       2.371300      0.7185000    
 H    4.520700       2.245600      0.8856000    
 H    4.499200      -2.624600     -0.4841000    
 H    5.381000      -1.414700      -1.408600    
 H   -5.943000      -2.919800      0.3603000    
 H   -4.227100      -3.025800     -1.4900000E-02
 H   -2.960800       2.075000       1.089100    
 H   -4.674700       1.881300       1.412300    
 H    2.372800      -1.509100       1.083700    
 H   -2.408300      -1.624600       1.098400    
 H    4.826000       3.537900      -1.233700    
 H    3.063400       3.662300      -1.404700    
 H    3.879700       4.439400     -3.7300002E-02
 H    7.387700      -1.748100      4.6000000E-02
 H    6.501300      -2.969300      0.9807000    
 H    6.873000      -3.256600     -0.7279000    
 H   -4.561500      -1.646900      -2.063700    
 H   -5.642500      -3.044100      -2.060400    
 H   -6.277600      -1.441900      -1.654300    
 H   -5.204200       3.479500     -0.4421000    
 H   -4.144700       4.206000      0.7795000    
 H   -3.469000       3.664600     -0.7675000    
 H    1.076100      0.8592000     -0.5955000    
 H   -1.348600      0.7443000     -0.5502000    
 H   3.6400001E-02  -1.514100       1.058700    


%chk=000031590-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000031590

1 1
N 3.658338 -0.134345 0.116991
N -3.767152 -0.336685 0.325002
C 3.904138 1.123090 -0.639422
C 4.856015 -0.915314 0.539054
C -4.880971 -1.179961 0.860192
C -4.122119 0.905031 -0.413864
C 3.907703 2.376847 0.270293
C 5.379555 -1.860225 -0.569099
C -5.167431 -2.435208 0.001700
C -4.171773 2.153624 0.501237
C 2.414070 -0.571549 0.413797
C -2.485448 -0.702868 0.551362
C 4.205777 3.656140 -0.539856
C 6.656375 -2.600640 -0.117406
C -5.625693 -2.131908 -1.439612
C -4.553249 3.417981 -0.297683
C 1.189414 0.035919 0.067073
C -1.316543 -0.032961 0.135673
C -0.038963 -0.551500 0.437745
H 4.883333 1.024966 -1.141004
H 3.144467 1.225338 -1.435788
H 5.646776 -0.197370 0.826213
H 4.598842 -1.497631 1.442759
H -5.781193 -0.542341 0.911325
H -4.629259 -1.478548 1.894765
H -5.108510 0.745565 -0.882502
H -3.396583 1.058551 -1.233593
H 2.929316 2.466816 0.779471
H 4.668156 2.248362 1.064497
H 4.587607 -2.588886 -0.828350
H 5.590127 -1.277443 -1.486831
H -5.950011 -3.015579 0.527897
H -4.263935 -3.076357 -0.017344
H -3.188093 2.292648 0.988974
H -4.907206 1.984410 1.311297
H 2.381376 -1.505739 0.990088
H -2.369083 -1.629001 1.130573
H 5.196275 3.603895 -1.027995
H 3.448506 3.822931 -1.328332
H 4.204916 4.542229 0.117773
H 7.474660 -1.893297 0.111106
H 6.473057 -3.211253 0.785896
H 7.013527 -3.278375 -0.911455
H -4.848369 -1.593979 -2.012599
H -5.842176 -3.069404 -1.980318
H -6.549032 -1.523041 -1.450458
H -5.546346 3.312245 -0.771726
H -4.592367 4.299835 0.364455
H -3.818018 3.630014 -1.096044
H 1.176088 0.974718 -0.497339
H -1.384859 0.903245 -0.429203
H 0.002666 -1.492394 1.011017


