%chk=000059551.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000059551

0 1
 O   -2.246100      -1.921300      0.1353000    
 N    2.265100     -6.6200003E-02  0.5338000    
 N    3.304400      0.5175000     -0.2600000    
 C   0.9810000      0.4029000      5.1000002E-03
 C  -0.1621000     -0.1199000      0.8941000    
 C   -1.530300      0.3438000      0.4548000    
 C   0.8576000     -6.6100001E-02  -1.444700    
 C    4.581600      8.1799999E-02  0.2893000    
 C   -2.498300     -0.5828000      9.9200003E-02
 C   -1.790500       1.705300      0.4165000    
 C    5.734100      0.6951000     -0.5011000    
 C    4.651100      -1.441800      0.2663000    
 C   -3.757200     -0.1372000     -0.3043000    
 C   -3.049300       2.150700      1.2900000E-02
 C   -4.032500       1.229500     -0.3475000    
 C   -3.308500      -2.791300     -0.2497000    
 H   0.9657000       1.500900      1.7700000E-02
 H  -1.4000000E-02  0.2226000       1.928000    
 H  -0.1100000      -1.214900      0.9407000    
 H    2.358700      0.2463000       1.500700    
 H    4.681200      0.4231000       1.328800    
 H  -0.1055000      0.2291000      -1.874500    
 H   0.9265000      -1.157900      -1.518800    
 H    1.620800      0.3672000      -2.100100    
 H    3.247900       1.534800     -0.2074000    
 H   -1.041100       2.435700      0.7067000    
 H    6.698500      0.3859000     -8.3899997E-02
 H    5.708200      0.3868000      -1.552300    
 H    5.694100       1.789600     -0.4685000    
 H    3.940400      -1.910600      0.9553000    
 H    5.648200      -1.779800      0.5720000    
 H    4.468200      -1.839400     -0.7390000    
 H   -4.569600     -0.7928000     -0.5983000    
 H   -3.265000       3.214700     -1.7800000E-02
 H   -5.012500       1.577600     -0.6608000    
 H   -3.589600      -2.646200      -1.298400    
 H   -4.164900      -2.708000      0.4281000    
 H   -2.932900      -3.816200     -0.1614000    


%chk=000059551-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000059551

0 1
O -2.015546 -1.790957 0.209144
N 2.226338 0.260791 0.753111
N 3.383680 0.694349 0.021458
C 0.937775 0.501191 0.044183
C -0.201489 0.205189 1.063654
C -1.582005 0.546493 0.529347
C 0.853350 -0.372285 -1.218352
C 4.602175 -0.125450 0.274488
C -2.483225 -0.468138 0.089096
C -2.011131 1.890862 0.437211
C 5.800223 0.601688 -0.369203
C 4.413414 -1.542876 -0.294960
C -3.760434 -0.137027 -0.427222
C -3.281936 2.238718 -0.077089
C -4.154301 1.218052 -0.510283
C -2.904716 -2.869888 -0.220817
H 0.849406 1.573584 -0.265246
H -0.012875 0.806417 1.979230
H -0.146352 -0.859952 1.343848
H 2.194739 0.625371 1.724671
H 4.793596 -0.215757 1.373431
H -0.053244 -0.129780 -1.800793
H 0.819960 -1.440215 -0.939414
H 1.744410 -0.194030 -1.843766
H 3.582401 1.707084 0.128304
H -1.331319 2.679840 0.783387
H 6.726626 0.017829 -0.227248
H 5.628868 0.727261 -1.453919
H 5.960297 1.603594 0.076155
H 3.488108 -1.984523 0.112135
H 5.269555 -2.189838 -0.027014
H 4.325718 -1.501761 -1.396042
H -4.449259 -0.918099 -0.762987
H -3.585714 3.289268 -0.134676
H -5.143338 1.468160 -0.910520
H -3.144594 -2.790823 -1.299232
H -3.843688 -2.879173 0.367081
H -2.342075 -3.796668 -0.034350


