%chk=000161842.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000161842

0 1
 N  -0.8921000     -0.1343000      0.3679000    
 N    3.383200      0.1389000      0.2789000    
 N   -4.747100      0.5457000      -1.027600    
 C   0.4821000     -7.4400000E-02 -0.1205000    
 C   -1.646900      -1.375700      4.8900001E-02
 C   -1.627500       1.155600      0.3422000    
 C    1.136900       1.251200      0.2770000    
 C    1.292600      -1.231000      0.4690000    
 C    2.620500       1.330100     -0.1441000    
 C    2.778700      -1.188400      5.0700001E-02
 C   -2.963800      -1.089700     -0.7120000    
 C   -3.105000      0.9682000      0.7707000    
 C   -3.882300     -8.0300003E-02 -2.5300000E-02
 C  -0.8742000      -2.412300     -0.8119000    
 C   -1.944800      -2.073400       1.395900    
 C   -1.553900       1.871600      -1.025000    
 C   -1.005800       2.108700       1.397900    
 C    3.262100       2.538600      0.5781000    
 C    2.762000       1.595000      -1.653400    
 C    2.967200      -1.662100      -1.401200    
 C    3.558300      -2.182200      0.9440000    
 H   0.4814000     -0.1184000      -1.213900    
 H    1.174000       1.329700       1.369000    
 H   0.7381000       2.142300     -0.1870000    
 H   0.9882000      -2.250000      0.3144000    
 H    1.252500      -1.119200       1.565200    
 H   -3.533300      -2.019200     -0.8565000    
 H   -2.709700     -0.7529000      -1.726600    
 H   -3.634000       1.931900      0.7456000    
 H   -3.133400      0.6727000       1.829400    
 H   -4.540300     -0.6164000      0.6696000    
 H    4.329600      0.1692000     -9.8800004E-02
 H  -0.2071000      -2.004300      -1.573900    
 H   -1.601000      -2.975300      -1.418300    
 H  -0.4140000      -3.225000     -0.2413000    
 H   -1.022500      -2.346500       1.921900    
 H   -2.528200      -1.448900       2.078100    
 H   -2.516200      -2.996100       1.238100    
 H   -2.105800       1.325200      -1.793100    
 H   -2.020500       2.862400     -0.9557000    
 H  -0.5740000       2.021200      -1.473800    
 H  -0.3682000       2.924900       1.052300    
 H  -0.5860000       1.576800       2.260300    
 H   -1.819900       2.688300       1.862500    
 H    3.236500       2.414700       1.667500    
 H    4.311200       2.667900      0.2858000    
 H    2.735200       3.470200      0.3407000    
 H    2.186700      0.9043000      -2.270600    
 H    2.403700       2.600500      -1.907100    
 H    3.809600       1.540000      -1.972100    
 H    2.323900      -1.142400      -2.111900    
 H    4.005300      -1.538400      -1.731200    
 H    2.725000      -2.727900      -1.494900    
 H    3.161900      -3.199900      0.8489000    
 H    4.620700      -2.214700      0.6738000    
 H    3.494700      -1.901900       2.002300    
 H   -4.196800       1.099500      -1.680500    
 H   -5.381800       1.199900     -0.5712000    


%chk=000161842-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000161842

0 1
N -0.924089 -0.019999 -0.025609
N 3.396627 0.305603 0.343729
N -5.109397 0.586592 -0.258873
C 0.559719 -0.076278 -0.062946
C -1.651843 -0.988192 -0.926219
C -1.704860 0.965809 0.790184
C 1.269579 1.232826 -0.516766
C 1.283051 -0.616738 1.208327
C 2.786028 1.027082 -0.808303
C 2.788286 -0.915872 0.944333
C -3.123137 -0.537742 -1.159335
C -3.033837 0.286531 1.248339
C -3.950969 -0.263169 0.113679
C -1.020583 -1.053058 -2.356652
C -1.632609 -2.427792 -0.320142
C -1.991681 2.298928 0.012857
C -0.986622 1.370931 2.109643
C 3.480651 2.412916 -0.875219
C 2.992339 0.324973 -2.191580
C 2.966170 -2.219748 0.097459
C 3.505105 -1.138359 2.302004
H 0.779456 -0.819090 -0.847757
H 1.179578 2.005469 0.269933
H 0.779425 1.622649 -1.429276
H 0.780381 -1.539695 1.555274
H 1.238361 0.122596 2.024654
H -3.634648 -1.311118 -1.760431
H -3.113406 0.375184 -1.785970
H -3.611922 1.006112 1.862234
H -2.745049 -0.548305 1.918065
H -4.381999 -1.219435 0.469356
H 4.418120 0.223862 0.249568
H -0.826123 -0.035454 -2.740835
H -1.724907 -1.554581 -3.046093
H -0.077907 -1.628589 -2.393137
H -0.592087 -2.757519 -0.143723
H -2.163974 -2.455778 0.647607
H -2.110383 -3.157057 -1.003307
H -2.480651 2.112806 -0.957240
H -2.639724 2.972609 0.607441
H -1.044770 2.829692 -0.189857
H -0.031607 1.892021 1.932484
H -0.800441 0.492309 2.750553
H -1.642461 2.066788 2.665755
H 3.390843 2.926549 0.097643
H 4.558123 2.306707 -1.110892
H 3.025631 3.046161 -1.659178
H 2.440249 -0.626515 -2.269898
H 2.651833 0.980977 -3.015406
H 4.065564 0.107273 -2.352581
H 2.390555 -2.202972 -0.844287
H 4.031927 -2.364387 -0.163702
H 2.635604 -3.103806 0.675704
H 3.053356 -1.983808 2.852814
H 4.578669 -1.368424 2.151948
H 3.431335 -0.227141 2.920507
H -4.832401 1.489975 -0.661995
H -5.786777 0.712693 0.502317


