%chk=000042055.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000042055

0 1
 O   -1.504400      0.9265000      -2.338800    
 N    2.239200     -0.8146000      0.7396000    
 N    4.477900     -0.9431000      -1.085400    
 C    2.040800      -1.058500     -0.6943000    
 C    3.545100      -1.328800       1.170400    
 C    3.171500     -0.4298000      -1.515800    
 C    4.676600     -0.7013000      0.3489000    
 C    1.161000      -1.415100       1.522500    
 C  -0.1060000     -0.7521000       1.033500    
 C    5.555600     -0.3406000      -1.867600    
 C  -6.8200000E-02  0.7229000      0.8617000    
 C   -1.184600      -1.522600      0.7982000    
 C  -0.7319000       1.399400     -0.1751000    
 C   -2.511600      -1.119700      0.3184000    
 C   -2.721400     -0.1116000     -0.6275000    
 C   -1.620100      0.7216000      -1.136900    
 C   0.7246000       1.500500       1.729300    
 C  -0.5886000       2.785900     -0.3508000    
 C   -3.620300      -1.868600      0.7473000    
 C   0.8568000       2.882700       1.564500    
 C   -4.003400      0.1457000      -1.133600    
 C   0.2044000       3.524700      0.5205000    
 C   -4.901100      -1.604600      0.2566000    
 C   -5.091800     -0.5989000     -0.6857000    
 H    1.114500     -0.6421000      -1.097400    
 H    2.008600      -2.138700     -0.8974000    
 H    3.585700      -2.422700       1.079300    
 H    3.709000      -1.082800       2.226600    
 H    3.009300     -0.6768000      -2.572200    
 H    3.129300      0.6643000      -1.425300    
 H    4.732000      0.3753000      0.5604000    
 H    5.625300      -1.146600      0.6721000    
 H    1.135500      -2.504800       1.390700    
 H    1.291400      -1.220900       2.594100    
 H    6.524300     -0.7599000      -1.573700    
 H    5.599200      0.7476000      -1.744700    
 H    5.427500     -0.5623000      -2.932900    
 H   -1.098800      -2.592200      0.9898000    
 H    1.246800       1.053300       2.572400    
 H   -1.104600       3.302700      -1.156600    
 H   -3.497900      -2.674700       1.468400    
 H    1.472200       3.453200       2.254100    
 H   -4.167300      0.9307000      -1.867600    
 H   0.3077000       4.597400      0.3886000    
 H   -5.746400      -2.191700      0.6039000    
 H   -6.086200     -0.3961000      -1.072100    


%chk=000042055-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000042055

0 1
O -2.669855 1.996561 -1.820717
N 2.352264 -0.767304 0.590997
N 4.745544 -1.259032 -0.962471
C 2.268841 -1.196677 -0.826200
C 3.586168 -1.289078 1.227389
C 3.513661 -0.730692 -1.596818
C 4.827359 -0.821121 0.450001
C 1.140082 -1.099379 1.374810
C -0.143300 -0.433819 0.854739
C 5.961331 -0.922395 -1.726984
C -0.174617 1.041258 0.752700
C -1.194618 -1.295846 0.615352
C -1.140544 1.807966 0.008859
C -2.574828 -1.078934 0.195289
C -3.086626 0.089572 -0.454239
C -2.283312 1.296573 -0.824841
C 0.858350 1.770930 1.426310
C -1.036595 3.231142 -0.013640
C -3.469301 -2.179428 0.397519
C 0.923225 3.172242 1.417382
C -4.453852 0.124738 -0.853461
C -0.036024 3.917192 0.689849
C -4.819197 -2.120187 0.022056
C -5.321003 -0.951942 -0.607970
H 1.365899 -0.753016 -1.282126
H 2.185743 -2.310317 -0.907283
H 3.586941 -2.408049 1.264169
H 3.638287 -0.912575 2.267591
H 3.462078 -1.104083 -2.636632
H 3.516323 0.388870 -1.629401
H 4.903655 0.294284 0.531813
H 5.734307 -1.260394 0.906913
H 0.965690 -2.203896 1.407183
H 1.331292 -0.788664 2.423048
H 6.842830 -1.386764 -1.249047
H 6.147907 0.179547 -1.801067
H 5.878152 -1.323674 -2.753020
H -0.977471 -2.354352 0.821169
H 1.638495 1.217763 1.949107
H -1.771130 3.776256 -0.613509
H -3.078210 -3.088497 0.869801
H 1.722645 3.683354 1.965105
H -4.803197 1.021432 -1.374067
H 0.004507 5.011380 0.667341
H -5.478918 -2.974615 0.208275
H -6.371776 -0.894129 -0.910873


