%chk=000017976.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000017976

0 1
 O  -0.9384000      0.1506000      0.6849000    
 O    1.493500      0.3300000       1.773400    
 O   6.0000003E-04   1.714900     -0.7151000    
 N   -4.935600      0.2357000     -0.5542000    
 C   -2.225200      0.7011000      0.4341000    
 C   -2.545700      0.6215000      -1.055800    
 C   -3.262800     -7.4500002E-02   1.239400    
 C   -3.987800       1.042100      -1.336700    
 C   -4.683100      0.3669000      0.8880000    
 C   -6.312500      0.6158000     -0.8692000    
 C    1.429600      4.4599999E-02  0.3611000    
 C   0.1130000      0.7563000      3.9900001E-02
 C   -7.307300     -0.2883000     -0.1611000    
 C    2.647100      0.6356000     -0.3539000    
 C    1.351200      -1.468300      0.1451000    
 C    2.503100       1.065900      -1.652700    
 C    1.985100      -2.295600       1.043400    
 C    3.838400      0.7141000      0.3298000    
 C   0.6493000      -1.943500     -0.9388000    
 C    1.512600       1.724900       2.002100    
 C    3.612400       1.604700      -2.304400    
 C    1.913400      -3.674600      0.8468000    
 C    4.947700       1.253000     -0.3220000    
 C   0.5776000      -3.322600      -1.135200    
 C    1.579600       1.979200       3.492800    
 C    4.834700       1.698300      -1.639100    
 C    1.209700      -4.188100     -0.2425000    
 H   -2.232900       1.747700      0.7667000    
 H   -2.381800     -0.4046000      -1.412400    
 H   -1.907700       1.251700      -1.677900    
 H   -3.078000      6.4900003E-02   2.311600    
 H   -3.146200      -1.151200       1.056100    
 H   -4.109800       2.111300      -1.118300    
 H   -4.180900      0.9037000      -2.407600    
 H   -5.350200     -0.2750000       1.471700    
 H   -4.842500       1.400400       1.222400    
 H   -6.515400       1.663500     -0.6139000    
 H   -6.476800      0.5080000      -1.948600    
 H   -7.051400      -1.346500     -0.2817000    
 H   -7.393100     -6.2500000E-02  0.9060000    
 H   -8.304200     -0.1427000     -0.5923000    
 H    1.589100      0.9519000      -2.224500    
 H    2.545500      -1.917300       1.892100    
 H    3.959600      0.3517000       1.345700    
 H   0.1629000      -1.287700      -1.653400    
 H   0.5949000       2.227700       1.681200    
 H    2.355900       2.249300       1.548300    
 H    3.528800       1.937500      -3.334900    
 H    2.407400      -4.348700       1.540400    
 H    5.901300       1.320000      0.1937000    
 H   3.2499999E-02  -3.722400      -1.985200    
 H   0.7283000       1.516100       4.003000    
 H    1.579100       3.051400       3.710300    
 H    2.485900       1.535100       3.917900    
 H    5.699700       2.113300      -2.148100    
 H    1.155000      -5.261800     -0.3964000    


%chk=000017976-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000017976

0 1
O -0.983177 0.056401 0.301345
O 1.748678 0.570966 1.922831
O -0.084503 2.187066 0.065971
N -5.128238 0.197599 -0.686985
C -2.374062 0.621259 0.201394
C -2.771813 0.784708 -1.273975
C -3.295947 -0.373230 0.912554
C -4.258028 1.192103 -1.364510
C -4.766573 0.068942 0.746794
C -6.567876 0.500744 -0.901176
C 1.441537 0.260354 0.493589
C 0.069632 0.948862 0.225527
C -7.506251 -0.643247 -0.474782
C 2.566605 0.768658 -0.427298
C 1.337513 -1.275084 0.420230
C 2.357840 1.575405 -1.570795
C 1.189063 -2.053907 1.591491
C 3.888283 0.355332 -0.110696
C 1.361573 -1.919141 -0.841181
C 2.059813 1.983202 2.258056
C 3.450693 1.956430 -2.385555
C 1.069409 -3.459068 1.501179
C 4.977682 0.743531 -0.915471
C 1.232402 -3.321456 -0.931544
C 2.462187 1.985144 3.733031
C 4.762044 1.546052 -2.061973
C 1.085871 -4.098929 0.240948
H -2.372236 1.608123 0.704717
H -2.626375 -0.179928 -1.793642
H -2.141968 1.551631 -1.759211
H -3.037442 -0.437304 1.985229
H -3.159967 -1.374503 0.465804
H -4.388501 2.217692 -0.924678
H -4.557148 1.253646 -2.427107
H -5.421959 -0.683670 1.216726
H -4.928850 1.038642 1.291849
H -6.867997 1.446643 -0.377150
H -6.701349 0.683110 -1.984949
H -7.191029 -1.589698 -0.948254
H -7.520348 -0.790896 0.619892
H -8.542050 -0.420774 -0.790308
H 1.353629 1.927387 -1.822016
H 1.175493 -1.552037 2.561871
H 4.047769 -0.273192 0.772914
H 1.490543 -1.326588 -1.754206
H 1.171441 2.617146 2.076362
H 2.883213 2.346172 1.612868
H 3.274213 2.581069 -3.268557
H 0.959972 -4.053495 2.415692
H 5.991045 0.417342 -0.655604
H 1.251955 -3.807323 -1.913762
H 1.639049 1.607052 4.364291
H 2.704505 3.014393 4.055610
H 3.348089 1.348012 3.899526
H 5.606227 1.845872 -2.693187
H 0.990921 -5.188722 0.172285


