%chk=000036172.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000036172

0 1
 N  -0.9574000     -0.8544000      0.5049000    
 N   0.5317000      0.7381000     -0.2833000    
 N    4.123900     -5.5900000E-02  0.1816000    
 C   -3.701700     -0.4897000      -1.187000    
 C   -3.771100      0.6725000       1.032200    
 C   -4.607500      0.1909000     -0.1568000    
 C   -1.865200       1.186100     -0.5920000    
 C   -2.664900      0.5105000      -1.708800    
 C   -2.735900       1.697700      0.5583000    
 C   -2.293100      -1.397400      0.7476000    
 C   -3.025800      -1.713800     -0.5580000    
 C   -3.096900     -0.5242000       1.713300    
 C  -0.7481000      0.2772000     -8.1200004E-02
 C    1.679800     -8.7000001E-03  0.1196000    
 C    2.965900      0.7085000     -0.2634000    
 C    5.365000      0.6468000     -0.1499000    
 C    4.122400      -1.391800     -0.4180000    
 C    5.396200       2.034200      0.4572000    
 C    5.282500      -2.226500      8.3700001E-02
 H   -4.313000     -0.8280000      -2.032700    
 H   -4.431800       1.158600       1.760600    
 H   -5.130200       1.038600     -0.6170000    
 H   -5.380700     -0.5084000      0.1852000    
 H   -1.379700       2.065400      -1.037400    
 H   -3.192000       1.288300      -2.277000    
 H   -1.989200      1.3900000E-02  -2.416400    
 H   -2.108800       2.013200       1.401500    
 H   -3.270100       2.594200      0.2165000    
 H   -2.120700      -2.355500       1.254900    
 H   -3.805400      -2.456800     -0.3426000    
 H   -2.342900      -2.181600      -1.277900    
 H   -2.462500     -0.1819000       2.540300    
 H   -3.883800      -1.144600       2.162900    
 H   0.6837000       1.632400     -0.7414000    
 H    1.654400     -0.1782000       1.203200    
 H    1.597500     -0.9772000     -0.3797000    
 H    2.991400      0.8852000      -1.347400    
 H    2.924700       1.690000      0.2218000    
 H    6.227600      0.1201000      0.2711000    
 H    5.517300      0.7167000      -1.234400    
 H    3.241100      -1.963600     -0.1170000    
 H    4.136100      -1.351300      -1.514300    
 H    5.113000       2.023400       1.515400    
 H    6.413900       2.437100      0.3986000    
 H    4.753900       2.741200     -7.7200003E-02
 H    5.129900      -3.275700     -0.1947000    
 H    6.237400      -1.925500     -0.3581000    
 H    5.369000      -2.189500       1.175200    


%chk=000036172-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000036172

0 1
N -0.466451 -0.488063 0.379480
N 0.456664 1.652963 0.440440
N 3.816623 -0.053420 -0.037666
C -3.194363 -0.265884 -1.484262
C -3.696253 -0.035503 0.981778
C -4.321434 -0.267443 -0.418717
C -1.941936 1.546289 -0.101523
C -2.498376 1.121728 -1.492473
C -3.013784 1.358510 1.012721
C -1.615616 -1.420743 0.237339
C -2.218461 -1.437628 -1.199140
C -2.724318 -1.201053 1.308472
C -0.636693 0.807905 0.243367
C 1.786417 1.141223 0.791526
C 2.627935 0.735278 -0.446950
C 5.009261 0.168811 -0.894674
C 3.488957 -1.495869 0.149707
C 5.690750 1.525503 -0.630761
C 4.397660 -2.186029 1.184513
H -3.639840 -0.424580 -2.487574
H -4.500541 -0.033583 1.745498
H -5.063668 0.525453 -0.643257
H -4.860674 -1.235832 -0.438380
H -1.707168 2.629953 -0.155791
H -3.242762 1.880859 -1.810396
H -1.681162 1.136500 -2.240130
H -2.554016 1.540259 2.003643
H -3.796727 2.132034 0.871141
H -1.184823 -2.424478 0.418674
H -2.771490 -2.390491 -1.333622
H -1.385973 -1.439462 -1.929665
H -2.237716 -1.039956 2.290296
H -3.319336 -2.134321 1.389767
H 0.330856 2.651535 0.286383
H 2.334709 1.899347 1.379802
H 1.637244 0.250722 1.426116
H 1.969295 0.167766 -1.145003
H 2.960546 1.646587 -0.978167
H 5.735098 -0.635738 -0.674632
H 4.757963 0.076798 -1.982846
H 2.437800 -1.561196 0.486404
H 3.537644 -2.045935 -0.824289
H 6.001358 1.592504 0.426471
H 6.583187 1.644611 -1.273788
H 5.012176 2.372892 -0.839809
H 4.116730 -3.250227 1.298044
H 5.462562 -2.150180 0.888857
H 4.302043 -1.687814 2.165076


