%chk=000176867.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000176867

0 1
 N   -1.898500     -0.4660000       1.220000    
 N    4.737800     -0.5859000     -0.8422000    
 C   -2.956700      3.5000000E-02  0.3550000    
 C  -0.7496000     -0.9046000      0.4348000    
 C   0.3767000      -1.425100       1.335400    
 C   -4.195200      0.4411000       1.169000    
 C    1.571900      -1.855300      0.5430000    
 C    2.615500     -0.9688000      0.2247000    
 C   -2.437900       1.214100     -0.4623000    
 C   -5.463300      0.4491000      0.3487000    
 C    3.721700      -1.410000     -0.5210000    
 C    1.621700      -3.181100      0.1230000    
 C    2.595600      0.3690000      0.6317000    
 C    3.647700       1.228900      0.3010000    
 C    3.747500      -2.741000     -0.9291000    
 C    4.713500      0.7019000     -0.4478000    
 C    2.712000      -3.624500     -0.6146000    
 C   -5.841600       1.610800     -0.3052000    
 C   -6.225300     -0.7052000      0.2657000    
 C    3.653700       2.577800      0.6968000    
 C    5.764000       1.553000     -0.7802000    
 C   -7.013100       1.618300      -1.062400    
 C   -7.396700     -0.6977000     -0.4915000    
 C    4.716100       3.407900      0.3516000    
 C   -7.790600      0.4641000      -1.155500    
 C    5.773300       2.894000     -0.3885000    
 H   -3.248200     -0.7653000     -0.3391000    
 H   -1.048300      -1.690100     -0.2712000    
 H  -0.3224000     -8.1799999E-02 -0.1453000    
 H   2.0000001E-03  -2.286000       1.908300    
 H   0.6401000     -0.6963000       2.110000    
 H   -4.047300       1.419300       1.646500    
 H   -4.343900     -0.2610000       2.001800    
 H   -2.246400      -1.244200       1.779500    
 H   -1.969400       1.974400      0.1736000    
 H   -1.718900      0.9111000      -1.229900    
 H   -3.239000       1.706600      -1.018800    
 H   0.8212000      -3.876800      0.3589000    
 H    1.765700      0.7826000       1.198200    
 H    4.590900      -3.112500      -1.508300    
 H    2.760600      -4.656900     -0.9481000    
 H   -5.255500       2.521600     -0.2275000    
 H   -5.926000      -1.615600      0.7768000    
 H    2.830300       2.989300       1.276400    
 H    6.604100       1.174100      -1.359500    
 H   -7.322000       2.524000      -1.576100    
 H   -8.002000      -1.596500     -0.5646000    
 H    4.718100       4.449100      0.6586000    
 H    6.607200       3.533100     -0.6632000    
 H   -8.703200      0.4701000      -1.744400    


%chk=000176867-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000176867

0 1
N -1.853746 -0.540797 1.038772
N 4.916710 -0.617518 -0.693429
C -2.993375 -0.104970 0.186560
C -0.658904 -1.043985 0.326206
C 0.367575 -1.602028 1.347400
C -4.204238 0.172140 1.127483
C 1.678833 -2.023917 0.703654
C 2.681438 -1.039283 0.335296
C -2.617369 1.142294 -0.638388
C -5.502297 0.454326 0.387395
C 3.918837 -1.479122 -0.314856
C 1.931540 -3.369927 0.433511
C 2.537570 0.349800 0.577184
C 3.554105 1.258866 0.195813
C 4.116893 -2.880448 -0.572932
C 4.747796 0.720541 -0.450789
C 3.144140 -3.802284 -0.204512
C -6.032905 1.767270 0.308292
C -6.207380 -0.596297 -0.257684
C 3.459953 2.677878 0.418146
C 5.792636 1.627866 -0.847410
C -7.232095 2.026949 -0.394812
C -7.404879 -0.343069 -0.962454
C 4.490066 3.525506 0.021832
C -7.922382 0.971836 -1.034072
C 5.666222 2.994639 -0.616840
H -3.296275 -0.913323 -0.528370
H -0.899207 -1.841681 -0.420721
H -0.199192 -0.211617 -0.236529
H -0.082516 -2.474567 1.860750
H 0.526358 -0.828229 2.122530
H -3.934514 1.018000 1.786978
H -4.339078 -0.716762 1.779778
H -2.173873 -1.232772 1.734324
H -2.272372 1.948309 0.035112
H -1.811026 0.925193 -1.361122
H -3.491136 1.502425 -1.208663
H 1.183003 -4.120337 0.715840
H 1.637031 0.735996 1.068058
H 5.050915 -3.176121 -1.059601
H 3.296348 -4.870077 -0.396910
H -5.502987 2.590039 0.803979
H -5.818602 -1.621144 -0.198877
H 2.562662 3.079614 0.904669
H 6.675958 1.198483 -1.330027
H -7.627169 3.048254 -0.441518
H -7.936616 -1.167783 -1.450955
H 4.412859 4.604719 0.193551
H 6.465605 3.679390 -0.921257
H -8.853019 1.169825 -1.577686


