%chk=000058594.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000058594

0 1
 O   -4.568600     -0.3105000      0.4004000    
 N  -0.1091000     -0.4109000     -0.1850000    
 N   -2.475500      0.1994000     -0.4781000    
 C    1.237700      2.7500000E-02 -0.1018000    
 C    1.558100       1.344100     -5.2700002E-02
 C    2.327800     -0.9570000     -8.0799997E-02
 C  -0.4464000      -1.849700     -0.2399000    
 C    1.979900      -2.391700     -0.3582000    
 C   0.6614000      -2.738000      0.3087000    
 C    2.977600       1.846600      4.0199999E-02
 C   0.4967000       2.413400     -0.1115000    
 C   -1.153100      0.5430000     -0.3055000    
 C    3.988700      0.8060000      0.5252000    
 C    3.588400     -0.6026000      0.2241000    
 C  -0.8894000       1.866600     -0.2664000    
 C   -2.925200      4.4599999E-02  -1.860600    
 C   -3.384800     -2.4999999E-03  0.5667000    
 C   -2.864300      0.1715000       1.975200    
 H  -0.6459000      -2.122000      -1.284000    
 H   -1.357600      -2.059800      0.3312000    
 H    1.906400      -2.545400      -1.442200    
 H    2.758300      -3.070000      1.1000000E-02
 H   0.4136000      -3.789900      0.1273000    
 H   0.7412000      -2.608600       1.395800    
 H    3.275400       2.207100     -0.9531000    
 H    3.027000       2.711900      0.7128000    
 H   0.7031000       3.078400     -0.9583000    
 H   0.5347000       3.015500      0.8037000    
 H    4.125200      0.8989000       1.609800    
 H    4.962800       1.016100      6.8300001E-02
 H    4.370800      -1.355400      0.2713000    
 H   -1.691800       2.595400     -0.3564000    
 H   -3.865300     -0.5120000      -1.909300    
 H   -2.171800     -0.4901000      -2.447400    
 H   -3.086000       1.038800      -2.289600    
 H   -2.568600       1.210700       2.140800    
 H   -3.655000     -7.9200000E-02   2.688900    
 H   -2.016800     -0.4929000       2.159500    


%chk=000058594-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000058594

0 1
O -4.422130 -0.503009 0.769050
N -0.121255 -0.382843 -0.299825
N -2.498623 0.135738 -0.384628
C 1.232805 0.064516 -0.152308
C 1.559716 1.401991 -0.166279
C 2.291786 -0.966401 0.051878
C -0.418101 -1.787661 -0.667431
C 1.986849 -2.410280 -0.313832
C 0.528710 -2.765958 0.044891
C 3.011439 1.817493 0.014592
C 0.544882 2.499395 -0.449447
C -1.135331 0.607597 -0.378356
C 3.785580 0.852888 0.939995
C 3.499371 -0.589828 0.566420
C -0.865559 1.945356 -0.415193
C -3.184035 0.006231 -1.687795
C -3.213006 -0.120178 0.799018
C -2.462655 0.104030 2.108158
H -0.316881 -1.927848 -1.768414
H -1.466438 -1.997956 -0.402001
H 2.115185 -2.555521 -1.407981
H 2.702049 -3.087576 0.186269
H 0.288165 -3.796172 -0.277377
H 0.376447 -2.707224 1.139335
H 3.508892 1.857480 -0.981475
H 3.056217 2.847130 0.420909
H 0.764253 2.991078 -1.428550
H 0.654909 3.315688 0.299694
H 3.477349 1.022363 1.995905
H 4.870756 1.061083 0.892927
H 4.270403 -1.348623 0.753222
H -1.714161 2.637349 -0.404215
H -4.222450 -0.303010 -1.487895
H -2.690066 -0.753927 -2.321606
H -3.177198 0.971816 -2.223919
H -2.403509 1.184967 2.330385
H -3.025078 -0.391685 2.913206
H -1.429687 -0.281186 2.072772


