%chk=000040951.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000040951

0 1
 N   -3.694000       1.979700     -0.3084000    
 N    3.133500       1.194800     -0.1696000    
 N    1.277200       1.841600      0.8645000    
 C   -1.308900      0.5730000      0.5074000    
 C  -0.1556000     -9.7999997E-02  0.3839000    
 C   -1.378000       2.073900      0.5830000    
 C   -2.650800     -0.1059000      0.5461000    
 C   -2.373500       2.616700     -0.4486000    
 C   -3.597800      0.5205000     -0.4837000    
 C    1.089800      0.6098000      0.2843000    
 C    2.224900      0.1879000     -0.3774000    
 C  -0.2455000      -1.590000      0.3216000    
 C    2.534700      -1.025700      -1.178500    
 C    1.273500      -1.685400      -1.744500    
 C   0.4290000      -2.339400     -0.6700000    
 C    2.518200       2.162400      0.5745000    
 C   -4.640300       2.548200      -1.268000    
 C  -0.9791000      -2.281000       1.306900    
 C   0.3252000      -3.742300     -0.6646000    
 C    4.498400       1.232600     -0.6452000    
 C   -1.069800      -3.673100       1.296800    
 C  -0.4211000      -4.403300      0.3091000    
 C    3.209900       3.403000      0.9806000    
 H   -1.702700       2.356900       1.592900    
 H  -0.4931000       2.657000      0.3661000    
 H   -2.682400      -1.160700      0.2813000    
 H   -3.078800       0.000000       1.551200    
 H   -2.473000       3.698300     -0.2920000    
 H   -1.976900       2.469700      -1.462700    
 H   -3.259100      0.2739000      -1.499600    
 H   -4.590100      7.0400000E-02 -0.3539000    
 H    3.173000     -0.7536000      -2.027800    
 H    3.096000      -1.738200     -0.5616000    
 H    1.580800      -2.439900      -2.480000    
 H   0.6581000     -0.9642000      -2.298400    
 H   -4.749300       3.626600      -1.107900    
 H   -5.635100       2.109500      -1.133200    
 H   -4.328000       2.383300      -2.305600    
 H   -1.442300      -1.757500       2.141300    
 H   0.8349000      -4.334200      -1.421500    
 H    4.494700       1.659000      -1.651300    
 H    5.112600       1.839200      2.3700001E-02
 H    4.905600      0.2187000     -0.6601000    
 H   -1.633000      -4.185900       2.071000    
 H  -0.4862000      -5.487300      0.3014000    
 H    2.506500       4.090800       1.461400    
 H    4.007700       3.188300       1.698300    
 H    3.638600       3.919900      0.1164000    


%chk=000040951-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000040951

0 1
N -3.876611 2.020298 -0.492963
N 3.227834 1.098143 -0.128765
N 1.414305 1.747597 1.053544
C -1.447844 0.653362 0.431578
C -0.260271 -0.038310 0.336290
C -1.554490 2.170420 0.428592
C -2.813793 -0.018020 0.488921
C -2.552120 2.665574 -0.646119
C -3.761109 0.548841 -0.598411
C 1.070257 0.621847 0.264743
C 2.191000 0.208373 -0.477078
C -0.204193 -1.544218 0.377816
C 2.378777 -0.882826 -1.496140
C 1.037479 -1.578478 -1.859022
C 0.419538 -2.291807 -0.666992
C 2.710447 2.012045 0.797667
C -4.879940 2.570384 -1.423199
C -0.724149 -2.244581 1.498768
C 0.483998 -3.703737 -0.570747
C 4.589754 1.062855 -0.667384
C -0.649679 -3.651520 1.588335
C -0.045677 -4.389385 0.545344
C 3.502168 3.123647 1.419062
H -1.929879 2.500764 1.418543
H -0.571202 2.642949 0.286944
H -2.741359 -1.111143 0.365629
H -3.281593 0.183764 1.474499
H -2.683144 3.760333 -0.550352
H -2.120596 2.467154 -1.664050
H -3.379482 0.240517 -1.608984
H -4.768454 0.107105 -0.475730
H 2.824969 -0.464524 -2.423616
H 3.091132 -1.650729 -1.125078
H 1.226074 -2.301917 -2.673505
H 0.341443 -0.811152 -2.249369
H -4.978532 3.659434 -1.263260
H -5.863501 2.104841 -1.229610
H -4.625629 2.402628 -2.502103
H -1.172991 -1.667710 2.315076
H 0.953695 -4.270894 -1.384594
H 4.601509 1.298451 -1.747874
H 5.209085 1.806876 -0.143440
H 5.044990 0.067009 -0.521559
H -1.055419 -4.165717 2.466943
H 0.014564 -5.482196 0.601290
H 2.834636 3.668905 2.103865
H 4.364494 2.753185 2.006138
H 3.887912 3.841564 0.669958


