%chk=000046033.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000046033

2 1
 N   -5.509600     -0.3392000      0.1833000    
 N    4.771900     -0.2197000      0.5746000    
 C   -4.117200     -0.3918000      0.6900000    
 C   -3.156000     -0.1854000     -0.4720000    
 C   -5.812200       1.029700     -0.4427000    
 C   -1.703200     -0.1855000      1.3300000E-02
 C   -5.742400      -1.414200     -0.8880000    
 C   -6.513900     -0.5751000       1.320500    
 C  -0.6933000      5.2000001E-02  -1.115200    
 C    3.391900     -0.1510000      0.1478000    
 C    5.602900       1.081000      0.3397000    
 C   -5.590900       2.110900      0.5924000    
 C   0.7456000     -1.9500000E-02 -0.6703000    
 C    4.889500     -0.5018000       2.099700    
 C    5.551200      -1.336600     -0.1764000    
 C    2.712000       1.066500      0.1786000    
 C    2.740500      -1.302500     -0.2943000    
 C    1.380800       1.132700     -0.2330000    
 C    1.409500      -1.236300     -0.7060000    
 C    5.642900       1.385800      -1.141800    
 H   -3.974100      0.3349000       1.495200    
 H   -3.964500      -1.385300       1.131200    
 H   -3.307700      0.7709000     -0.9779000    
 H   -3.243200     -0.9794000      -1.220000    
 H   -5.217600       1.176200      -1.347700    
 H   -6.864700       1.014700     -0.7522000    
 H   -1.487300      -1.145300      0.5004000    
 H   -1.574500      0.5879000      0.7815000    
 H   -5.247200      -1.125600      -1.818500    
 H   -5.366000      -2.369600     -0.5112000    
 H   -6.820200      -1.481100      -1.069400    
 H   -7.520800     -0.3394000      0.9643000    
 H   -6.453700      -1.631900       1.600500    
 H   -6.239800      3.2200001E-02   2.186100    
 H  -0.8815000       1.030000      -1.577500    
 H  -0.8569000     -0.6820000      -1.915300    
 H    6.616400      0.9047000      0.7210000    
 H    5.169300       1.892400      0.9318000    
 H   -4.541300       2.234600      0.8712000    
 H   -6.195100       2.000000       1.495100    
 H   -5.890500       3.070400      0.1528000    
 H    4.364000      -1.437800       2.312000    
 H    5.949700     -0.5930000       2.354000    
 H    4.428200      0.3320000       2.637400    
 H    5.260700      -2.306900      0.2391000    
 H    5.332300      -1.285600      -1.247200    
 H    6.622100      -1.199100      6.6000000E-03
 H    3.160300       1.985800      0.5379000    
 H    3.212700      -2.278700     -0.3147000    
 H   0.8568000       2.083600     -0.1985000    
 H   0.9078000      -2.139500      -1.041800    
 H    6.105900       2.369000      -1.285900    
 H    6.267500      0.6783000      -1.695600    
 H    4.663500       1.428000      -1.623300    


%chk=000046033-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000046033

2 1
N -5.666204 -0.346746 0.203218
N 4.963122 -0.256993 0.610966
C -4.166383 -0.360899 0.604911
C -3.160976 -0.093251 -0.528860
C -6.085302 0.996820 -0.460930
C -1.705724 -0.213744 0.002865
C -5.964463 -1.474640 -0.785248
C -6.495146 -0.589314 1.466782
C -0.667876 0.101381 -1.113187
C 3.504828 -0.198027 0.158607
C 5.721582 1.052241 0.199239
C -5.855038 2.247908 0.390812
C 0.779985 -0.013691 -0.653380
C 5.011374 -0.381308 2.142766
C 5.712664 -1.456958 0.034095
C 2.703996 0.878252 0.608124
C 2.955148 -1.185942 -0.682380
C 1.358024 0.963264 0.200549
C 1.601202 -1.085499 -1.078300
C 5.767260 1.305265 -1.308124
H -4.057184 0.392012 1.403781
H -3.991706 -1.356427 1.052204
H -3.301872 0.921548 -0.947245
H -3.292537 -0.814547 -1.357336
H -5.525884 1.054132 -1.409138
H -7.155434 0.879799 -0.706562
H -1.528625 -1.236066 0.390390
H -1.556266 0.480965 0.853047
H -5.452825 -1.279304 -1.738081
H -5.619587 -2.429992 -0.360715
H -7.050879 -1.517865 -0.957546
H -7.564551 -0.526639 1.213672
H -6.264612 -1.592687 1.856690
H -6.246488 0.166862 2.224309
H -0.852700 1.127723 -1.487535
H -0.838784 -0.582102 -1.965935
H 6.734571 0.950142 0.626348
H 5.209289 1.875294 0.722261
H -4.791784 2.419716 0.629428
H -6.440474 2.253072 1.324792
H -6.194688 3.118396 -0.197796
H 4.465777 -1.288725 2.441057
H 6.063602 -0.445800 2.460375
H 4.539992 0.500415 2.597726
H 5.257942 -2.386489 0.406615
H 5.683151 -1.429400 -1.062649
H 6.757878 -1.399266 0.373838
H 3.102844 1.663836 1.258479
H 3.541077 -2.030236 -1.052046
H 0.760348 1.816677 0.540196
H 1.191368 -1.853296 -1.743603
H 6.234447 2.292701 -1.469913
H 6.382531 0.570647 -1.852815
H 4.760591 1.342186 -1.757219


