%chk=000076687.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000076687

0 1
 O    3.961700      -2.025400      0.8153000    
 O   -3.936200       2.007700      0.8444000    
 O    2.783000       1.970300      0.4505000    
 O   -2.809400      -1.997800      0.4259000    
 N    4.379300      0.2521000      0.4597000    
 N   -4.383000     -0.2591000      0.4572000    
 C    6.007900       1.554800     -0.8885000    
 C   -6.027100      -1.521800     -0.9102000    
 C    6.985000      0.4989000      -1.398400    
 C   -6.989600     -0.4464000      -1.406600    
 C    5.461000       1.247800      0.5029000    
 C   -5.477700      -1.240900      0.4857000    
 C    6.418400     -0.9178000      -1.430500    
 C   -6.404500      0.9631000      -1.418800    
 C    6.104700      -1.472700     -4.4199999E-02
 C   -6.085200       1.495000     -2.4599999E-02
 C   0.5931000      0.4677000      0.3232000    
 C  -0.5876000     -0.5116000      0.3207000    
 C    1.938800     -0.2386000      0.3500000    
 C   -1.936200      0.2011000      0.3565000    
 C    4.705600      -1.118700      0.4337000    
 C   -4.691500       1.116100      0.4497000    
 C    3.060600      0.7680000      0.4274000    
 C   -3.071200     -0.7917000      0.4190000    
 H    5.185400       1.675200      -1.604000    
 H    6.540000       2.513400     -0.8528000    
 H   -5.205400      -1.643100      -1.626400    
 H   -6.571600      -2.473700     -0.8881000    
 H    7.297800      0.7765000      -2.412400    
 H    7.892000      0.5142000     -0.7811000    
 H   -7.304900     -0.7060000      -2.424600    
 H   -7.897400     -0.4582000     -0.7904000    
 H    6.255700      0.8988000       1.171300    
 H    5.078300       2.176300      0.9412000    
 H   -6.268500     -0.8908000       1.158100    
 H   -5.107500      -2.180400      0.9116000    
 H    5.529800     -0.9509000      -2.072600    
 H    7.171200      -1.565000      -1.897400    
 H   -5.514900      0.9932000      -2.059400    
 H   -7.148300       1.626400      -1.877400    
 H    6.847900      -1.180200      0.7041000    
 H    6.143600      -2.568300     -0.1051000    
 H   -6.833100       1.202000      0.7187000    
 H   -6.109700       2.591700     -7.0699997E-02
 H   0.5259000       1.111000     -0.5636000    
 H   0.5006000       1.125900       1.196900    
 H  -0.5257000      -1.147200     -0.5718000    
 H  -0.4974000      -1.177400       1.188800    
 H    2.060400     -0.8537000     -0.5477000    
 H    1.970600     -0.8734000       1.241100    
 H   -1.962500      0.8242000       1.256100    
 H   -2.050900      0.8301000     -0.5325000    


%chk=000076687-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000076687

0 1
O 3.954976 -2.091823 0.312940
O -3.957045 2.088642 0.368830
O 2.957163 1.959333 0.659306
O -2.962000 -1.969548 0.630902
N 4.473027 0.209050 0.390564
N -4.476143 -0.213159 0.393706
C 6.167141 1.527226 -0.986183
C -6.165955 -1.504880 -1.013000
C 7.250177 0.513321 -1.416130
C -7.245023 -0.481245 -1.429573
C 5.550486 1.247783 0.403612
C -5.554494 -1.251051 0.383959
C 6.778662 -0.957675 -1.442665
C -6.770210 0.988893 -1.427321
C 6.274111 -1.492994 -0.069850
C -6.273866 1.498902 -0.041960
C 0.589730 0.491296 0.524620
C -0.592946 -0.500973 0.516250
C 1.941650 -0.247212 0.483974
C -1.944538 0.238960 0.495603
C 4.809877 -1.163439 0.234843
C -4.811688 1.162515 0.265521
C 3.121247 0.714238 0.524881
C -3.124901 -0.722078 0.519033
H 5.350285 1.568921 -1.732437
H 6.617854 2.538550 -0.958882
H -5.346187 -1.535162 -1.756598
H -6.618750 -2.515620 -1.005300
H 7.632256 0.790319 -2.418084
H 8.110817 0.595115 -0.719337
H -7.622908 -0.739290 -2.438159
H -8.109137 -0.573717 -0.738457
H 6.331108 0.949032 1.126807
H 5.066376 2.161918 0.781084
H -6.337646 -0.964474 1.109373
H -5.072691 -2.172316 0.746789
H 5.983665 -1.093137 -2.202342
H 7.625771 -1.594716 -1.761449
H -5.969824 1.135676 -2.179184
H -7.613775 1.633304 -1.740653
H 6.939830 -1.125358 0.735777
H 6.319471 -2.594483 -0.058012
H -6.944773 1.117268 0.752758
H -6.318439 2.600025 -0.010073
H 0.519112 1.179302 -0.340306
H 0.544516 1.134074 1.424113
H -0.525429 -1.170627 -0.363232
H -0.544958 -1.162502 1.401874
H 2.020303 -0.889803 -0.413482
H 2.032466 -0.963548 1.322849
H -2.032408 0.936941 1.350102
H -2.025042 0.900924 -0.387502


