%chk=000057663.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000057663

0 1
 O  -0.9044000     -0.3366000     -0.9854000    
 O   -2.681000       2.583500     -0.9747000    
 N   -1.635300       2.364400       1.054600    
 C    3.929200      0.1942000     -0.2505000    
 C    2.708500     -0.6982000     -1.6300000E-02
 C    5.221400     -0.3735000      0.3438000    
 C    1.454300     -9.6900001E-02 -0.6489000    
 C    6.454200      0.4811000      4.6500001E-02
 C   0.2254000     -0.9558000     -0.3861000    
 C    7.719300     -0.1613000      0.5954000    
 C   -2.119900     -0.5622000     -0.3933000    
 C   -2.874900      0.4967000      9.9900000E-02
 C   -2.585600      -1.869200     -0.2943000    
 C   -4.109200      0.2459000      0.6992000    
 C   -3.819900      -2.120000      0.3050000    
 C   -4.581800      -1.062400      0.8018000    
 C   -2.400300       1.870100      3.1999999E-03
 H    4.066300      0.3377000      -1.329700    
 H    3.743600       1.186400      0.1793000    
 H    2.893300      -1.692900     -0.4391000    
 H    2.554700     -0.8279000       1.061800    
 H    5.380500      -1.383400     -5.4499999E-02
 H    5.103100     -0.4774000       1.429500    
 H    1.279100      0.9130000     -0.2569000    
 H    1.592500      2.1100000E-02  -1.730800    
 H    6.330000       1.476800      0.4873000    
 H    6.560900      0.6156000      -1.036000    
 H   8.1000000E-02  -1.067100      0.6965000    
 H   0.3603000      -1.950700     -0.8255000    
 H    7.656200     -0.2861000       1.681100    
 H    8.588600      0.4661000      0.3752000    
 H    7.887500      -1.144900      0.1451000    
 H   -2.007400      -2.701800     -0.6847000    
 H   -4.712300       1.061700       1.089700    
 H   -4.188900      -3.138500      0.3830000    
 H   -5.543200      -1.257800       1.267900    
 H   -1.283800       3.316000       1.041900    
 H   -1.400900       1.797800       1.863500    


%chk=000057663-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000057663

0 1
O -0.873624 0.224860 0.118347
O -4.300502 2.751226 -0.011689
N -1.985479 2.648728 -0.051730
C 4.125348 0.253854 0.114807
C 2.851343 -0.620761 0.143095
C 5.430172 -0.573856 0.125852
C 1.551654 0.217581 0.115078
C 6.705841 0.299258 0.106927
C 0.303748 -0.666780 0.166549
C 8.005013 -0.535002 0.112934
C -2.165653 -0.340809 0.176161
C -3.284161 0.548352 0.129110
C -2.364224 -1.740167 0.277996
C -4.583285 -0.015580 0.190113
C -3.671817 -2.267187 0.336260
C -4.789805 -1.404909 0.293339
C -3.231331 2.060060 0.017616
H 4.107892 0.898539 -0.788468
H 4.118561 0.939593 0.987433
H 2.865696 -1.313758 -0.723717
H 2.866086 -1.255986 1.053207
H 5.441451 -1.255217 -0.750617
H 5.446564 -1.224323 1.025428
H 1.536777 0.914760 0.975201
H 1.523458 0.832223 -0.805631
H 6.695952 0.977457 0.984520
H 6.687490 0.951496 -0.790027
H 0.275803 -1.258563 1.104062
H 0.271241 -1.360213 -0.698352
H 8.062264 -1.172949 1.015131
H 8.901728 0.111286 0.098955
H 8.053434 -1.199332 -0.770546
H -1.512183 -2.424031 0.311650
H -5.419533 0.690859 0.152939
H -3.810180 -3.351319 0.414979
H -5.805524 -1.810088 0.338921
H -1.947523 3.664101 -0.127066
H -1.141592 2.070099 -0.024271


