%chk=000114398.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000114398

0 1
 N    5.386900     -0.8438000      0.1686000    
 C   -1.394000     -5.4000001E-02   1.089300    
 C   0.6315000      0.5516000     -0.2246000    
 C   0.1649000     -0.1607000       1.063100    
 C   -1.534700       1.317600      0.4423000    
 C  -0.3902000       1.650200     -0.3027000    
 C    2.078000       1.013100     -0.1309000    
 C   -2.035400      -1.213200      0.3119000    
 C   -1.903500     -3.6899999E-02   2.542100    
 C    3.037200     -0.1719000     -1.7700000E-02
 C   -2.610900       2.195300      0.5117000    
 C  -0.3202000       2.843900      -1.006000    
 C    4.489600      0.2983000      4.0300000E-02
 C   -2.684900     -0.9616000     -0.8931000    
 C   -1.962900      -2.508200      0.8169000    
 C   -2.537600       3.403800     -0.1835000    
 C   -1.401800       3.724100     -0.9394000    
 C   -3.267300      -2.014100      -1.599400    
 C   -2.545200      -3.560700      0.1105000    
 C   -3.197300      -3.313600      -1.097600    
 C    5.219300      -1.760800     -0.9602000    
 C    6.778700     -0.3984000      0.2582000    
 H   0.4965000     -0.1080000      -1.091500    
 H   0.5219000      -1.195900       1.104300    
 H   0.5851000      0.3545000       1.940400    
 H    2.338400       1.595500      -1.023600    
 H    2.213400       1.685200      0.7264000    
 H   -1.527300      0.8369000       3.088300    
 H   -2.998700      2.0999999E-03   2.581600    
 H   -1.584600     -0.9220000       3.102900    
 H    2.812800     -0.7603000      0.8797000    
 H    2.854300     -0.8105000     -0.8882000    
 H   -3.500600       1.951000       1.082500    
 H   0.5511000       3.100700      -1.598600    
 H    4.726000      0.8919000     -0.8528000    
 H    4.609300      0.9580000      0.9090000    
 H   -2.764200      2.6400000E-02  -1.332200    
 H   -1.449000      -2.728400       1.747600    
 H   -3.370900       4.100100     -0.1440000    
 H   -1.364400       4.666100      -1.479800    
 H   -3.773900      -1.822800      -2.540900    
 H   -2.488000      -4.573200      0.4991000    
 H   -3.649600      -4.133300      -1.648000    
 H    4.283700      -2.324400     -0.8939000    
 H    6.005900      -2.525500     -0.9495000    
 H    5.269800      -1.249500      -1.928500    
 H    7.447600      -1.251800      0.4155000    
 H    6.915200      0.2672000       1.118000    
 H    7.101700      0.1328000     -0.6445000    


%chk=000114398-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000114398

0 1
N 5.552564 -0.782987 0.142208
C -1.421611 -0.060965 1.119299
C 0.619015 0.506266 -0.217898
C 0.140213 -0.257969 1.053717
C -1.561539 1.318881 0.459110
C -0.409985 1.633546 -0.307582
C 2.093123 0.967714 -0.167591
C -2.139343 -1.175228 0.310648
C -1.938398 -0.067079 2.583460
C 3.094193 -0.205754 -0.062897
C -2.642316 2.220508 0.526478
C -0.334029 2.850291 -1.015232
C 4.556061 0.278678 -0.141229
C -2.948754 -0.902372 -0.820679
C -1.991278 -2.531609 0.711481
C -2.565172 3.448403 -0.176516
C -1.418230 3.760035 -0.945395
C -3.591164 -1.947086 -1.526478
C -2.629989 -3.576607 0.011085
C -3.436389 -3.288909 -1.115567
C 5.551648 -1.866609 -0.861410
C 6.906113 -0.222510 0.332388
H 0.496164 -0.158032 -1.102074
H 0.430270 -1.322181 1.049415
H 0.595652 0.218439 1.945956
H 2.324167 1.557578 -1.079344
H 2.227883 1.653797 0.694155
H -1.466592 0.748528 3.160916
H -3.034803 0.067009 2.622595
H -1.704767 -1.023274 3.085178
H 2.957357 -0.744225 0.894265
H 2.881058 -0.928926 -0.875487
H -3.533586 1.983290 1.119463
H 0.554123 3.100419 -1.607328
H 4.732153 0.750621 -1.146691
H 4.701649 1.076838 0.613568
H -3.079787 0.131630 -1.155243
H -1.369213 -2.776621 1.581180
H -3.395812 4.161515 -0.124202
H -1.367917 4.712962 -1.484780
H -4.211135 -1.709028 -2.398721
H -2.499281 -4.613476 0.341971
H -3.933149 -4.098137 -1.662629
H 4.568897 -2.366021 -0.888173
H 6.305726 -2.624549 -0.583468
H 5.787515 -1.506698 -1.897032
H 7.605926 -1.027370 0.621207
H 6.889153 0.523457 1.147151
H 7.315319 0.276616 -0.584148


