%chk=000106446.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000106446

0 1
 N    5.302300     -0.1040000     -0.9453000    
 N   -3.786400      -3.025200     -0.2295000    
 N   -2.124800       6.336300      0.6600000    
 C  -0.1695000       1.096500     -0.1753000    
 C    1.269100      0.7813000     -0.3776000    
 C   -1.050900      8.2999997E-02 -0.1910000    
 C  -0.6834000       2.474200      4.4199999E-02
 C    2.050100      0.5014000      0.7239000    
 C    1.775500      0.7787000      -1.660300    
 C    3.937500      0.1960000     -0.7532000    
 C   -2.468300      0.3419000      3.8999999E-03
 C  -0.5945000      -1.281200     -0.4022000    
 C    3.400000      0.2054000      0.5340000    
 C    3.125200      0.4826000      -1.850200    
 C   -1.050400       3.229400      -1.049700    
 C  -0.7761000       2.951800       1.334600    
 C   -3.360700     -0.6568000     -7.4999998E-03
 C   -1.458900      -2.304300     -0.4196000    
 C   -2.918300      -2.064000     -0.2213000    
 C   -1.532700       4.521900     -0.8435000    
 C   -1.258400       4.244300       1.540600    
 C   -1.636600       5.029400      0.4516000    
 C    6.210200     -0.9133000     -0.2353000    
 C    7.568400     -0.5921000     -0.2189000    
 C    5.753600      -2.037900      0.4541000    
 C   -5.120100      -2.638100     -2.9100001E-02
 C    8.467700      -1.393200      0.4849000    
 C    6.652900      -2.838900       1.158000    
 C    8.009900      -2.516400       1.173400    
 C   -5.918000      -2.310900      -1.122300    
 C   -5.638800      -2.583300       1.261900    
 C   -7.244000      -1.926000     -0.9231000    
 C   -6.964600      -2.198700       1.461100    
 C   -7.767200      -1.869900      0.3686000    
 H    1.643200      0.5103000       1.731200    
 H    1.152200      0.9998000      -2.522100    
 H   -2.861500       1.338800      0.1644000    
 H   0.4487000      -1.531700     -0.5530000    
 H    4.013600      7.7000000E-03   1.408600    
 H    3.532200      0.4772000      -2.858200    
 H  -0.9741000       2.844500      -2.062700    
 H  -0.4847000       2.349300       2.190300    
 H   -4.394400     -0.3762000      0.1451000    
 H   -1.127500      -3.324500     -0.5762000    
 H   -1.824500       5.123700      -1.700400    
 H   -1.335000       4.628200       2.554700    
 H    5.710000      0.3537000      -1.755900    
 H    7.937600      0.2813000     -0.7505000    
 H    4.706000      -2.326000      0.4417000    
 H   -2.199400       6.704900       1.598800    
 H   -2.398300       6.906300     -0.1294000    
 H    9.524300      -1.142300      0.4969000    
 H    6.297600      -3.716500       1.690000    
 H    8.710200      -3.140800       1.720400    
 H   -5.519600      -2.353000      -2.132500    
 H   -5.021700      -2.839000       2.119200    
 H   -7.868800      -1.670200      -1.773800    
 H   -7.372200      -2.155200       2.466900    
 H   -8.799500      -1.570400      0.5239000    


%chk=000106446-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000106446

0 1
N 5.525314 0.256170 -0.202013
N -3.932384 -2.931310 -0.063598
N -1.742633 6.846378 -0.385357
C -0.145629 1.321284 -0.202466
C 1.304824 1.027494 -0.202048
C -1.108907 0.273822 -0.161815
C -0.560521 2.740569 -0.245386
C 1.856219 -0.032182 0.580928
C 2.226680 1.817189 -0.955265
C 4.133779 0.460671 -0.190997
C -2.468906 0.496353 0.312058
C -0.795194 -1.090418 -0.569807
C 3.232017 -0.311251 0.598698
C 3.600255 1.536312 -0.962755
C -1.696021 3.167305 -1.001338
C 0.171157 3.753963 0.447242
C -3.413418 -0.510570 0.360960
C -1.735775 -2.099361 -0.538108
C -3.105728 -1.872623 -0.085452
C -2.085739 4.513436 -1.057367
C -0.216443 5.101472 0.414360
C -1.356979 5.509994 -0.341175
C 6.273944 -0.883075 0.187132
C 7.635018 -0.695825 0.560453
C 5.743931 -2.203154 0.158618
C -5.319115 -2.842418 0.154187
C 8.441986 -1.799114 0.903560
C 6.558471 -3.297772 0.517240
C 7.908335 -3.109434 0.894385
C -6.165423 -1.861714 -0.456950
C -5.934250 -3.868920 0.935110
C -7.562809 -1.902528 -0.270007
C -7.327538 -3.885576 1.137747
C -8.154485 -2.902942 0.537938
H 1.189261 -0.613947 1.226204
H 1.844501 2.640246 -1.568391
H -2.719264 1.484753 0.713452
H 0.202710 -1.298569 -0.969798
H 3.613560 -1.092266 1.261395
H 4.274847 2.140441 -1.582847
H -2.253234 2.424626 -1.582354
H 1.042852 3.463754 1.043951
H -4.398040 -0.313921 0.798505
H -1.499362 -3.110650 -0.884828
H -2.950126 4.806434 -1.665807
H 0.355718 5.848645 0.978037
H 6.079878 1.046247 -0.537490
H 8.052547 0.318677 0.590236
H 4.718658 -2.378151 -0.178237
H -1.221914 7.557027 0.120766
H -2.560842 7.136032 -0.913619
H 9.487117 -1.633469 1.188055
H 6.135654 -4.308282 0.485211
H 8.533171 -3.965389 1.169077
H -5.720786 -1.104048 -1.112195
H -5.287448 -4.636281 1.372887
H -8.194342 -1.152877 -0.761845
H -7.774895 -4.674094 1.754312
H -9.240053 -2.927362 0.683913


