%chk=000056506.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000056506

0 1
 O  -0.3933000      -1.153100      0.3079000    
 O    2.224000      0.3720000       2.237600    
 O  -0.1430000     -0.7672000       2.564800    
 N   -4.353600     -0.2934000     -0.7394000    
 C   -1.812200      -1.188000      0.3923000    
 C   -2.372900      -1.763500     -0.9043000    
 C   -2.356200      0.2188000      0.6244000    
 C   -3.898400      -1.677100     -0.9373000    
 C   -3.882100      0.2442000      0.5449000    
 C   -5.812100     -0.2181000     -0.8210000    
 C   0.2627000     -0.6724000       1.412300    
 C    1.577900     -2.7999999E-03   1.017600    
 C    1.299000       1.265200      0.2126000    
 C    2.458300     -0.9722000      0.3332000    
 C    1.292500       1.187500      -1.162500    
 C    1.063600       2.440800      0.8904000    
 C    1.037700       2.345200      -1.897700    
 C   0.8088000       3.598400      0.1551000    
 C   0.7958000       3.550500      -1.239000    
 C    3.173300      -1.764300     -0.2191000    
 C    4.050700      -2.725100     -0.8974000    
 C    4.979300      -2.025100      -1.875400    
 H   -2.104000      -1.847000       1.220800    
 H   -2.051300      -2.806100      -1.016600    
 H   -1.946700      -1.227700      -1.763300    
 H   -1.934300      0.9077000     -0.1196000    
 H   -2.048800      0.6111000       1.599900    
 H   -4.240300      -2.044200      -1.912600    
 H   -4.321500      -2.341200     -0.1721000    
 H   -4.304400     -0.3227000       1.385100    
 H   -4.212700       1.284200      0.6545000    
 H   -6.161500     -0.5714000      -1.797600    
 H   -6.149800      0.8197000     -0.7245000    
 H   -6.301900     -0.8144000     -4.2700000E-02
 H    1.455500      0.2622000      -1.704900    
 H    1.052600       2.499700       1.974000    
 H    2.409100     -0.4357000       2.747700    
 H    1.022000       2.307200      -2.983000    
 H   0.6161000       4.536300      0.6678000    
 H   0.5950000       4.451400      -1.811300    
 H    3.446400      -3.464100      -1.435000    
 H    4.646100      -3.271100     -0.1574000    
 H    5.626200      -2.753800      -2.373800    
 H    4.412500      -1.489900      -2.645200    
 H    5.617900      -1.297200      -1.362900    


%chk=000056506-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000056506

0 1
O -0.517189 -0.411932 0.152870
O 2.355425 0.407276 2.277953
O -0.148006 -0.515831 2.453871
N -4.686292 -0.725596 -0.651570
C -1.949770 -0.857370 0.325336
C -2.353840 -1.539218 -0.984206
C -2.837365 0.360747 0.620192
C -3.850182 -1.918533 -0.920936
C -4.318161 -0.077958 0.629927
C -6.129735 -1.020747 -0.736280
C 0.240640 -0.279101 1.281318
C 1.712516 0.184237 0.977136
C 1.688009 1.525103 0.213064
C 2.387122 -0.902734 0.235730
C 1.721528 1.566200 -1.199942
C 1.583358 2.729585 0.948059
C 1.648745 2.805043 -1.874414
C 1.510969 3.967476 0.271730
C 1.541006 4.009807 -1.141492
C 2.972763 -1.824588 -0.338146
C 3.699087 -2.908111 -1.024112
C 4.848556 -2.390541 -1.930195
H -1.973907 -1.565624 1.176671
H -1.738689 -2.441256 -1.155174
H -2.188368 -0.840307 -1.823566
H -2.685612 1.117139 -0.170698
H -2.570247 0.806742 1.594803
H -4.160650 -2.354823 -1.887877
H -4.000341 -2.709815 -0.137252
H -4.497010 -0.763682 1.501591
H -4.963055 0.807889 0.774720
H -6.368036 -1.431168 -1.733818
H -6.708104 -0.088977 -0.604477
H -6.479284 -1.756025 0.032740
H 1.807707 0.632290 -1.764877
H 1.592653 2.686425 2.040933
H 1.822729 -0.099891 2.953975
H 1.678883 2.830846 -2.969629
H 1.438802 4.897516 0.846905
H 1.487143 4.970710 -1.665888
H 2.986804 -3.501167 -1.631552
H 4.111676 -3.601615 -0.264826
H 5.365603 -3.238646 -2.414009
H 4.457873 -1.724305 -2.718789
H 5.586241 -1.822172 -1.338500


