%chk=000112449.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000112449

0 1
 N  -7.8900002E-02 -0.1097000      0.5179000    
 N    5.384400      0.2073000     -0.7173000    
 C  -0.5837000      0.6902000       1.614500    
 C   -1.841800       1.455500       1.178900    
 C   -1.562400       2.436500      3.3500001E-02
 C  -0.8866000     -0.2320000       2.791100    
 C   -2.792200       3.249000     -0.3794000    
 C    1.311400     -2.8600000E-02  0.2016000    
 C  -0.9761000      -1.093200      4.1999999E-03
 C   -2.504400       4.277700      -1.462100    
 C    2.008000      -1.187800     -0.1015000    
 C    1.938200       1.207700      0.2050000    
 C   -1.149700      -2.283500      0.6941000    
 C   -1.658700     -0.8415000      -1.176500    
 C    3.366300      -1.109000     -0.4091000    
 C    3.296500       1.286500     -0.1027000    
 C    4.010400      0.1281000     -0.4097000    
 C   -2.026300      -3.245100      0.1915000    
 C   -2.535300      -1.803100      -1.679000    
 C   -2.719000      -3.004900     -0.9950000    
 H   0.1451000       1.422400       1.980200    
 H   -2.660300      0.7816000      0.9007000    
 H   -2.213600       2.027100       2.040000    
 H   -1.153600       1.938500     -0.8470000    
 H  -0.7897000       3.141400      0.3667000    
 H   -1.049200      0.3799000       3.687700    
 H   -1.807000     -0.8113000       2.672600    
 H  -4.7600001E-02 -0.8969000       3.022700    
 H   -3.198900       3.766200      0.4979000    
 H   -3.572400       2.566200     -0.7365000    
 H   -2.130100       3.793800      -2.369700    
 H   -1.755300       5.000700      -1.124200    
 H   -3.416400       4.825700      -1.718500    
 H    1.540500      -2.166900     -0.1039000    
 H    1.409700       2.132800      0.4083000    
 H  -0.5852000      -2.526400       1.588300    
 H   -1.509500      6.9200002E-02  -1.744600    
 H    3.912400      -2.018900     -0.6447000    
 H    3.786200       2.256900     -0.1060000    
 H   -2.159300      -4.186400      0.7166000    
 H   -3.068700      -1.619800      -2.607100    
 H   -3.397900      -3.755600      -1.388900    
 H    5.901300     -0.6315000     -0.9452000    
 H    5.850900       1.104500     -0.7230000    


%chk=000112449-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000112449

0 1
N -0.085236 -0.161718 0.549699
N 5.439297 0.200000 -0.861067
C -0.504499 0.665109 1.728420
C -1.813314 1.466600 1.494843
C -1.746889 2.421334 0.283336
C -0.506840 -0.132277 3.060716
C -3.059525 3.207437 0.064494
C 1.305336 -0.071580 0.166397
C -0.933336 -1.077860 -0.120423
C -2.997847 4.151294 -1.155582
C 2.147145 -1.214809 0.209931
C 1.877764 1.162692 -0.236176
C -2.127925 -1.605526 0.460140
C -0.610598 -1.494854 -1.451923
C 3.507649 -1.132696 -0.137616
C 3.244004 1.261538 -0.565473
C 4.084837 0.112254 -0.526445
C -2.952390 -2.496235 -0.260464
C -1.436637 -2.391453 -2.155044
C -2.620954 -2.903558 -1.571745
H 0.303621 1.415524 1.825415
H -2.674832 0.784876 1.369846
H -2.009118 2.051018 2.417468
H -1.513366 1.836456 -0.628315
H -0.911041 3.140957 0.422491
H -0.605508 0.563102 3.915390
H -1.333050 -0.860364 3.123106
H 0.443583 -0.684144 3.173699
H -3.295320 3.793319 0.976936
H -3.892415 2.487068 -0.067176
H -2.793516 3.583171 -2.082573
H -2.192990 4.901893 -1.038116
H -3.949603 4.696331 -1.295530
H 1.719745 -2.177046 0.512934
H 1.240771 2.051751 -0.304329
H -2.408092 -1.348895 1.483471
H 0.290896 -1.100605 -1.930871
H 4.134277 -2.032490 -0.097157
H 3.660950 2.229217 -0.871429
H -3.859131 -2.883192 0.220201
H -1.156870 -2.683816 -3.174315
H -3.262572 -3.599098 -2.122760
H 6.034861 -0.621959 -0.838855
H 5.850178 1.084537 -1.143149


