%chk=000081271.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000081271

0 1
 O  -0.5741000      -2.808700      0.4867000    
 N   0.2075000     -0.6267000      2.8400000E-02
 N   0.7744000       1.710500      5.5799998E-02
 C  -0.1044000      0.7545000      3.7300002E-02
 C   -2.521200      0.1354000     -3.0000000E-03
 C   -1.541200       1.130500      1.2900000E-02
 C    1.618000     -0.9728000     -5.8699999E-02
 C    2.564900      6.7199998E-02 -1.1900000E-02
 C   -2.187400      -1.218800      6.0100000E-02
 C  -0.7720000      -1.634000      0.1845000    
 C    2.134100       1.392900      6.7800000E-02
 C   -3.888800      0.5081000     -7.6200001E-02
 C    3.957400     -0.2054000     -5.0500002E-02
 C   -1.908100       2.484400     -2.9600000E-02
 C    2.095500      -2.283800     -0.2150000    
 C   -3.190300      -2.199400      3.4800000E-02
 C   -4.236300       1.865300     -0.1208000    
 C   -4.878600     -0.4847000     -0.1008000    
 C    3.066100       2.436100      0.1338000    
 C    4.392500      -1.527700     -0.1667000    
 C   -3.250700       2.847100     -9.3900003E-02
 C    4.876200      0.8519000      1.9600000E-02
 C    3.465300      -2.557700     -0.2607000    
 C   -4.529900      -1.831100     -4.8799999E-02
 C    4.431100       2.167100      0.1150000    
 H   -1.164700       3.276900     -2.0600000E-02
 H    1.440500      -3.138100     -0.3351000    
 H   -2.948400      -3.258200      7.8900002E-02
 H   -5.279200       2.170300     -0.1751000    
 H   -5.931700     -0.2179000     -0.1598000    
 H    2.728400       3.467900      0.1956000    
 H    5.452800      -1.766700     -0.2028000    
 H   -3.528700       3.896600     -0.1284000    
 H    5.946800      0.6602000     -4.3000001E-03
 H    3.806200      -3.582900     -0.3770000    
 H   -5.303000      -2.593700     -6.8499997E-02
 H    5.147200       2.981900      0.1662000    


%chk=000081271-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000081271

0 1
O -0.523629 -2.917439 -0.078340
N 0.219632 -0.667064 -0.039465
N 0.775135 1.710950 0.003668
C -0.121009 0.743483 -0.015191
C -2.570518 0.145902 -0.030409
C -1.544648 1.139518 -0.012216
C 1.639937 -1.022170 -0.044349
C 2.592419 0.060735 -0.022013
C -2.220932 -1.237452 -0.052330
C -0.802433 -1.681069 -0.057734
C 2.145614 1.426923 0.002023
C -3.961676 0.535452 -0.027161
C 4.011066 -0.208055 -0.024210
C -1.900488 2.502062 0.008809
C 2.123222 -2.346561 -0.070119
C -3.227223 -2.218718 -0.070436
C -4.285917 1.929005 -0.005567
C -4.962889 -0.489681 -0.045739
C 3.066181 2.489393 0.023545
C 4.461824 -1.565211 -0.049124
C -3.267569 2.891342 0.012030
C 4.925975 0.898102 -0.001759
C 3.526331 -2.598130 -0.071857
C -4.599557 -1.841455 -0.066901
C 4.461864 2.218114 0.021715
H -1.098566 3.244663 0.022664
H 1.428861 -3.181291 -0.088831
H -2.927223 -3.270743 -0.087594
H -5.339206 2.232622 -0.002912
H -6.019981 -0.199248 -0.043114
H 2.680087 3.512496 0.041448
H 5.537187 -1.774859 -0.050284
H -3.520678 3.956475 0.028471
H 6.001496 0.687407 -0.003553
H 3.860706 -3.641046 -0.091572
H -5.371481 -2.617632 -0.080909
H 5.174286 3.049680 0.038515


