%chk=000068835.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000068835

0 1
 O  -0.2161000      0.7315000      -1.741300    
 N    1.301400      0.7133000      1.6899999E-02
 N   -2.296400      0.5847000      4.9100000E-02
 N   -4.627200      -1.114900      0.3300000    
 C    2.493100      0.4566000     -0.7611000    
 C    3.717800       1.127700     -0.1302000    
 C    2.717400      -1.048100     -0.9452000    
 C    4.164000      0.4373000       1.158600    
 C    3.165300      -1.734900      0.3450000    
 C    4.391600      -1.056400      0.9476000    
 C   -2.205700     -0.8687000     -0.1413000    
 C   -3.370000      0.9159000      0.9946000    
 C   -1.018400       1.130100      0.5021000    
 C   3.6800001E-02  0.8301000     -0.5427000    
 C   -3.548100      -1.439100     -0.6057000    
 C   -4.705500      0.3348000      0.5236000    
 H    2.333500      0.8999000      -1.752000    
 H    3.508500       2.184000      7.7299997E-02
 H    4.547300       1.102900     -0.8484000    
 H    3.488700      -1.201400      -1.710800    
 H    1.804900      -1.531100      -1.314700    
 H    3.415600      0.5872000       1.945400    
 H    5.090800      0.9002000       1.516900    
 H    3.391900      -2.787300      0.1399000    
 H    2.345600      -1.723800       1.073600    
 H    5.252000      -1.203100      0.2829000    
 H    4.643200      -1.529900       1.903200    
 H    1.394300      0.7664000       1.026800    
 H   -1.905800      -1.361800      0.7939000    
 H   -1.468300      -1.150800     -0.8990000    
 H   -3.474000       2.004900       1.071500    
 H   -3.137300      0.5372000       1.999100    
 H   -1.074600       2.220900      0.5967000    
 H  -0.7290000      0.7147000       1.475100    
 H   -3.794700      -1.063400      -1.606900    
 H   -3.468000      -2.529000     -0.6838000    
 H   -5.475100      0.5490000       1.273300    
 H   -5.022900      0.8197000     -0.4084000    
 H   -5.513300      -1.457900     -3.9500002E-02


%chk=000068835-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000068835

0 1
O -0.118475 0.608829 -1.763363
N 1.334505 0.639478 0.050234
N -2.353587 0.459386 0.115254
N -4.812722 -0.991453 0.320228
C 2.559001 0.474975 -0.766985
C 3.756090 1.188476 -0.092083
C 2.878326 -1.025987 -1.016047
C 4.234209 0.466303 1.193996
C 3.341636 -1.745424 0.272617
C 4.551041 -1.023572 0.915776
C -2.375748 -1.017664 -0.026602
C -3.452876 0.945261 0.983697
C -1.048990 0.993056 0.513198
C 0.071553 0.714193 -0.515706
C -3.737326 -1.471811 -0.579904
C -4.811050 0.485693 0.423885
H 2.333112 0.949156 -1.739837
H 3.492701 2.241941 0.122508
H 4.592843 1.204932 -0.818277
H 3.681551 -1.084342 -1.779027
H 1.985713 -1.514450 -1.447202
H 3.457493 0.531856 1.986594
H 5.125846 0.981151 1.600118
H 3.600915 -2.796868 0.044463
H 2.502510 -1.778352 0.998069
H 5.418488 -1.085502 0.226345
H 4.849682 -1.532633 1.852477
H 1.424111 0.669888 1.067832
H -2.199638 -1.523925 0.957049
H -1.578627 -1.312389 -0.730694
H -3.419466 2.051153 1.013836
H -3.353750 0.562054 2.031822
H -1.141413 2.094221 0.606103
H -0.711283 0.615948 1.519960
H -3.834748 -1.074276 -1.618550
H -3.768126 -2.576001 -0.621905
H -5.618294 0.802024 1.110024
H -4.966307 0.987761 -0.562171
H -5.735601 -1.365686 0.064369


