%chk=000163944.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000163944

0 1
 O   -4.579900      -1.417000      0.7355000    
 O   -2.519300      -2.996800       1.323800    
 O    4.451900       1.591400      0.4484000    
 O    2.400200       1.580600       1.492200    
 N   0.5794000      0.2679000     -0.1154000    
 C   -1.842200      0.7432000     -0.2409000    
 C  -0.7056000     -0.1607000      9.9100001E-02
 C   -3.173400      0.3358000     -3.1800002E-02
 C    1.684400     -0.5244000     -0.4228000    
 C  -0.9417000      -1.381500      0.6108000    
 C   -1.648900       2.029000     -0.7802000    
 C   -3.452600     -0.9973000      0.5279000    
 C   -4.258800       1.167700     -0.3426000    
 C   -2.299200      -1.888700      0.8605000    
 C    2.982800     -0.1588000     -3.0999999E-02
 C   -2.729600       2.862000      -1.092800    
 C    1.508400      -1.718600      -1.140100    
 C   -4.032500       2.432200     -0.8738000    
 C    4.075300     -0.9661000     -0.3483000    
 C    2.600900      -2.525900      -1.457200    
 C    3.884200      -2.149500      -1.061300    
 C    3.215900       1.071400      0.7150000    
 C    4.800300       2.804100       1.124800    
 H   0.7536000       1.259000     -2.4999999E-03
 H  -0.1482000      -2.056500      0.9156000    
 H  -0.6529000       2.415600     -0.9808000    
 H   -5.283200      0.8448000     -0.1774000    
 H   -2.546900       3.848400      -1.509900    
 H   0.5343000      -2.029200      -1.509400    
 H   -4.869200       3.080000      -1.117100    
 H    5.086600     -0.7103000     -4.3099999E-02
 H    2.454000      -3.442600      -2.020800    
 H    4.734400      -2.778900      -1.307600    
 H    4.103100       3.601800      0.8517000    
 H    5.806700       3.092400      0.8103000    
 H    4.800900       2.645100       2.207200    


%chk=000163944-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000163944

0 1
O -4.860853 -1.285726 0.522713
O -2.866475 -3.253054 0.915874
O 4.383307 1.639065 0.606973
O 2.116318 2.070263 0.386712
N 0.540120 0.016563 -0.180389
C -1.809193 0.690348 -0.193754
C -0.788404 -0.382592 -0.013675
C -3.191110 0.385111 0.012598
C 1.695471 -0.748104 -0.418454
C -1.165646 -1.671700 0.343494
C -1.460430 2.012480 -0.577806
C -3.641121 -0.997394 0.372223
C -4.175813 1.389639 -0.145730
C -2.546095 -2.073386 0.560061
C 2.987297 -0.144300 -0.181284
C -2.450252 3.008586 -0.724951
C 1.655198 -2.069016 -0.951687
C -3.813248 2.702247 -0.506433
C 4.169845 -0.893298 -0.431066
C 2.841418 -2.779908 -1.200471
C 4.108469 -2.205521 -0.925897
C 3.091144 1.254916 0.285044
C 4.548737 3.040705 1.065131
H 0.768678 1.014935 -0.000282
H -0.420035 -2.441506 0.555471
H -0.421024 2.286741 -0.781898
H -5.221403 1.108058 0.017211
H -2.154768 4.022177 -1.015990
H 0.695482 -2.522493 -1.206339
H -4.578967 3.475777 -0.623887
H 5.132617 -0.414458 -0.234761
H 2.777148 -3.789812 -1.619925
H 5.026503 -2.770212 -1.113470
H 4.228738 3.740004 0.275054
H 5.623080 3.138078 1.272695
H 3.948469 3.216387 1.972890


