%chk=000085582.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000085582

0 1
 N   -5.226700     -0.3344000      0.9411000    
 N   -4.276200     -0.9734000     -0.9616000    
 C   0.9222000      0.4998000     -0.3855000    
 C    2.269100      0.8291000      0.2620000    
 C  -0.2088000       1.324000      0.2323000    
 C    3.391900     -2.3300000E-02 -0.3322000    
 C   -1.560000      0.9704000     -0.3930000    
 C    4.762200      0.2489000      0.2956000    
 C   -2.695600       1.772800      0.2498000    
 C    5.911300     -0.6349000     -0.1989000    
 C   -4.069300       1.471400     -0.3599000    
 C    7.263000     -0.2801000      0.4211000    
 C   -4.508300      4.1900001E-02 -0.1595000    
 C    8.366100      -1.190400     -9.6699998E-02
 C   -5.468400      -1.675100      0.8338000    
 C   -4.872500      -2.046700     -0.3484000    
 H   0.9739000      0.6949000      -1.463600    
 H   0.7072000     -0.5685000     -0.2601000    
 H    2.499100       1.891600      0.1182000    
 H    2.211000      0.6536000       1.343000    
 H  -0.2466000       1.141500       1.313200    
 H  -5.4000001E-03   2.392400      9.1300003E-02
 H    3.453400      0.1539000      -1.412900    
 H    3.147400      -1.084500     -0.1993000    
 H   -1.737100     -0.1035000     -0.2661000    
 H   -1.531800       1.170700      -1.470800    
 H    4.679900      0.1325000       1.383900    
 H    5.023300       1.299800      0.1173000    
 H   -2.491100       2.844000      0.1322000    
 H   -2.720500       1.569400       1.327800    
 H    5.980600     -0.5485000      -1.290300    
 H    5.672900      -1.683100      2.0300001E-02
 H   -4.051300       1.685400      -1.435400    
 H   -4.814500       2.144100      8.2000002E-02
 H    7.204900     -0.3668000       1.512100    
 H    7.515200      0.7614000      0.1906000    
 H    8.157500      -2.237100      0.1463000    
 H    9.324300     -0.9206000      0.3582000    
 H    8.469200      -1.103200      -1.183000    
 H   -5.524600      0.2670000       1.697800    
 H   -6.022700      -2.221500       1.582900    
 H   -4.842000      -3.032600     -0.7888000    


%chk=000085582-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000085582

0 1
N -4.866358 -0.366767 1.083825
N -4.887343 -0.879700 -1.111275
C 0.905040 0.452365 -0.365406
C 2.262462 0.746377 0.312069
C -0.260374 1.288534 0.209770
C 3.434063 -0.065239 -0.285217
C -1.622304 0.967897 -0.445354
C 4.788515 0.214705 0.404476
C -2.774270 1.840602 0.099159
C 5.963946 -0.581919 -0.205473
C -4.157098 1.491927 -0.520163
C 7.316671 -0.309161 0.491461
C -4.630818 0.098267 -0.213062
C 8.486185 -1.104820 -0.127803
C -5.292378 -1.700491 1.002120
C -5.299204 -1.996675 -0.361632
H 0.989665 0.645333 -1.455289
H 0.668267 -0.626941 -0.260216
H 2.487952 1.830304 0.226703
H 2.183661 0.530856 1.398543
H -0.330117 1.114377 1.304619
H -0.033093 2.368084 0.081760
H 3.521050 0.161662 -1.368537
H 3.203486 -1.148852 -0.213509
H -1.865580 -0.102819 -0.292938
H -1.548814 1.111051 -1.543093
H 4.705306 -0.025370 1.485421
H 5.012640 1.300591 0.344528
H -2.556299 2.907989 -0.106656
H -2.819180 1.743692 1.205135
H 6.053314 -0.336152 -1.284565
H 5.738696 -1.667859 -0.152845
H -4.101927 1.568157 -1.620278
H -4.909344 2.233597 -0.181944
H 7.227358 -0.558599 1.568709
H 7.539023 0.776533 0.441950
H 8.300392 -2.193904 -0.066151
H 9.440298 -0.894799 0.390046
H 8.617740 -0.848378 -1.196151
H -4.747565 0.169084 1.942449
H -5.541725 -2.290493 1.879822
H -5.569738 -2.930747 -0.848213


