%chk=000039651.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000039651

0 1
 O   -1.360200       1.375600      -1.112900    
 N    1.133900       1.862300     -0.3042000    
 N   -1.872400      0.4904000      0.9783000    
 N   -5.302700     -0.6964000      0.1780000    
 C   0.4193000      0.7655000      0.3516000    
 C   0.9618000     -0.5922000     -0.1037000    
 C    2.468000     -0.6519000     -4.8000000E-02
 C    2.538100       1.874400      0.1263000    
 C    3.222900      0.5331000      2.0199999E-02
 C   -1.019900      0.9112000     -2.7899999E-02
 C    3.123400      -1.887900     -0.1208000    
 C    4.621700      0.4595000      5.0799999E-02
 C   -3.312300      0.5485000      0.8703000    
 C   -3.847600     -0.7481000      0.2704000    
 C    4.516300      -1.948600     -0.1006000    
 C    5.264600     -0.7766000     -1.2600000E-02
 C   -5.829000      -1.950700     -0.3626000    
 C   -5.725900      0.4321000     -0.6526000    
 H   0.5236000      0.8714000       1.440200    
 H   0.6481000     -0.8066000      -1.134200    
 H   0.5387000      -1.378800      0.5339000    
 H    2.602200       2.219000       1.166000    
 H    3.070300       2.601300     -0.4978000    
 H   0.7093000       2.755300     -5.3100001E-02
 H    2.551000      -2.809200     -0.1935000    
 H    5.217500       1.365800      0.1242000    
 H   -1.483300      0.1049000       1.833800    
 H   -3.707600      0.7082000       1.879400    
 H   -3.545200       1.426700      0.2620000    
 H   -3.390300     -0.9263000     -0.7124000    
 H   -3.545300      -1.583900      0.9150000    
 H    5.018300      -2.910300     -0.1534000    
 H    6.349500     -0.8254000      7.3000002E-03
 H   -5.536900      -2.795500      0.2712000    
 H   -5.472900      -2.143800      -1.381100    
 H   -6.924500      -1.935500     -0.3763000    
 H   -5.593000       1.389800     -0.1403000    
 H   -6.802200      0.3722000     -0.8564000    
 H   -5.208300      0.4605000      -1.618400    


%chk=000039651-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000039651

0 1
O -1.559529 2.024903 -0.063800
N 1.078603 1.595848 -0.614954
N -1.773945 -0.019872 1.019459
N -5.364480 -0.688342 -0.064956
C 0.507237 0.829712 0.498252
C 1.041667 -0.619136 0.398591
C 2.563256 -0.625129 0.256524
C 2.520136 1.829674 -0.491690
C 3.263365 0.532039 -0.182270
C -1.027525 0.986654 0.442651
C 3.296055 -1.800433 0.561780
C 4.673928 0.485415 -0.303943
C -3.245357 0.026578 1.067031
C -3.886200 -0.705147 -0.138595
C 4.699980 -1.842409 0.431497
C 5.394778 -0.689736 -0.005307
C -5.983700 -1.763159 -0.868214
C -5.945831 0.633842 -0.385442
H 0.820043 1.239955 1.497927
H 0.583276 -1.098983 -0.488266
H 0.768482 -1.216892 1.293562
H 2.778101 2.569648 0.312367
H 2.895712 2.251460 -1.443070
H 0.503880 2.415007 -0.850365
H 2.755736 -2.692032 0.905622
H 5.211138 1.381107 -0.641779
H -1.296600 -0.853014 1.365435
H -3.604169 -0.434765 2.004170
H -3.531373 1.091281 1.066061
H -3.497004 -0.246295 -1.081627
H -3.556472 -1.762114 -0.127946
H 5.247942 -2.760884 0.669675
H 6.485128 -0.708853 -0.111886
H -5.594235 -2.744939 -0.544488
H -5.799581 -1.662135 -1.968027
H -7.076898 -1.760873 -0.707232
H -5.545506 1.408732 0.289336
H -7.040506 0.597136 -0.242625
H -5.740532 0.956157 -1.437360


