%chk=000114410.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000114410

0 1
 N   -4.371000      -1.374700      0.2119000    
 C   0.4951000     -0.3598000      0.3092000    
 C  -0.5745000      -1.411500      1.7500000E-02
 C   0.2755000      0.9184000     -0.4848000    
 C   0.3605000      0.1905000       1.732100    
 C    1.862000     -0.9282000      9.1200002E-02
 C   5.2499998E-02   1.994300      0.3917000    
 C   -1.975200     -0.8608000      0.2715000    
 C   0.1103000       1.511300       1.769200    
 C   0.2719000       1.099900      -1.860300    
 C   -3.039800      -1.906800     -5.4600000E-02
 C  -0.1745000       3.270900     -9.7900003E-02
 C    2.986100     -0.1745000      0.4189000    
 C    2.003500      -2.208000     -0.4389000    
 C  -8.3800003E-02   2.376200       2.957000    
 C   4.3499999E-02   2.384200      -2.356300    
 C  -0.1775000       3.460700      -1.482500    
 C    4.260300     -0.7041000      0.2152000    
 C    3.277700      -2.737800     -0.6426000    
 C    4.406100      -1.985800     -0.3155000    
 C   -5.394600      -2.383400     -6.7000002E-02
 C   -4.614100     -0.1710000     -0.5851000    
 H  -0.5469000      -1.729500      -1.034000    
 H  -0.4454000      -2.299900      0.6515000    
 H   0.4514000     -0.4320000       2.613700    
 H   -2.096600     -0.5553000       1.317300    
 H   -2.118600      2.0900000E-02 -0.3573000    
 H   -2.942400      -2.227200      -1.100400    
 H   -2.866900      -2.790400      0.5728000    
 H   0.4415000      0.2708000      -2.538600    
 H  -0.3474000       4.111200      0.5663000    
 H    2.910200      0.8289000      0.8276000    
 H    1.182200      -2.854500     -0.7228000    
 H   0.6702000       3.169300       2.986300    
 H   7.9999998E-04   1.802000       3.885700    
 H   -1.075700       2.839200       2.941400    
 H   3.5900000E-02   2.554400      -3.429500    
 H  -0.3535000       4.453000      -1.889200    
 H    5.139200     -0.1182000      0.4681000    
 H    3.392800      -3.735300      -1.056900    
 H    5.398300      -2.397900     -0.4747000    
 H   -5.232000      -3.276700      0.5466000    
 H   -5.401700      -2.684800      -1.120800    
 H   -6.389900      -2.005000      0.1913000    
 H   -4.063900      0.6931000     -0.1999000    
 H   -5.669400      0.1220000     -0.5198000    
 H   -4.377100     -0.3130000      -1.645800    


%chk=000114410-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000114410

0 1
N -4.515303 -1.459425 0.144422
C 0.509528 -0.346506 0.321953
C -0.643742 -1.357240 0.004777
C 0.345513 0.951269 -0.490366
C 0.389910 0.191318 1.756093
C 1.912604 -0.972692 0.097784
C 0.130986 2.047546 0.395763
C -2.070799 -0.811017 0.227545
C 0.168490 1.544110 1.791672
C 0.369220 1.146149 -1.879090
C -3.132062 -1.824835 -0.246886
C -0.069968 3.350980 -0.108829
C 3.063859 -0.167083 0.316398
C 2.107046 -2.317435 -0.305045
C -0.013694 2.419742 3.003664
C 0.167779 2.456247 -2.390021
C -0.051249 3.546230 -1.512418
C 4.362119 -0.685534 0.139755
C 3.410188 -2.841974 -0.482924
C 4.543423 -2.031417 -0.261209
C -5.460677 -2.568290 -0.097840
C -4.984623 -0.202566 -0.474153
H -0.540692 -1.683954 -1.050939
H -0.505002 -2.258957 0.634945
H 0.476585 -0.466753 2.625339
H -2.240620 -0.601707 1.299811
H -2.183379 0.145958 -0.314064
H -3.040983 -1.957354 -1.360254
H -2.912481 -2.810837 0.210103
H 0.550947 0.308489 -2.562664
H -0.237237 4.198415 0.566063
H 2.932206 0.876400 0.625250
H 1.249437 -2.972065 -0.485864
H 0.746162 3.224815 3.033589
H 0.066865 1.840042 3.938411
H -1.004515 2.914229 2.992893
H 0.185651 2.627400 -3.472381
H -0.204052 4.550059 -1.925338
H 5.233189 -0.043210 0.313388
H 3.535262 -3.885391 -0.795151
H 5.551781 -2.437873 -0.398578
H -5.123246 -3.470650 0.443295
H -5.567842 -2.835465 -1.181435
H -6.461087 -2.295165 0.283927
H -4.341278 0.639499 -0.169979
H -6.011072 0.014366 -0.127875
H -4.998047 -0.242768 -1.594735


