%chk=000052147.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000052147

1 1
 O   -1.088900       1.521300     -0.4390000    
 O    4.175000      -2.382100      0.5238000    
 O    5.667700       1.414300      0.1722000    
 O    6.143500     -0.7488000     -0.4550000    
 N   -5.106300      1.3200000E-02  4.1099999E-02
 N  -0.2589000     -0.6036000      0.1187000    
 C   -3.772900      0.7125000     -0.1808000    
 C   -5.204500      -1.195600     -0.8781000    
 C   -6.242300      0.9781000     -0.2665000    
 C   -5.205500     -0.4419000       1.490000    
 C   -2.632100     -0.2634000      6.0500000E-02
 C   -6.531800      -1.886300     -0.6529000    
 C   -6.139400       2.177500      0.6503000    
 C   -1.247000      0.3480000     -0.1182000    
 C    1.143500     -0.4257000      5.3500000E-02
 C    1.975900      -1.499400      0.3222000    
 C    1.653300      0.8187000     -0.2771000    
 C    3.358100      -1.323800      0.2583000    
 C    3.035600      0.9944000     -0.3408000    
 C    3.888000     -7.6800004E-02 -7.3100001E-02
 C    5.327900      0.1282000     -0.1450000    
 C    7.061100       1.741300      0.1360000    
 H   -3.677000       1.547600      0.5192000    
 H   -3.758700       1.100400      -1.206200    
 H   -5.090700     -0.8567000      -1.913400    
 H   -4.420400      -1.913900     -0.6298000    
 H   -6.174900       1.267500      -1.320900    
 H   -7.200200      0.4863000     -7.9700001E-02
 H   -4.734300      0.3013000       2.141000    
 H   -6.257500     -0.5553000       1.770300    
 H   -4.689800      -1.400100       1.608600    
 H   -2.650300      -1.088500     -0.6578000    
 H   -2.660800     -0.6815000       1.072200    
 H   -7.382600      -1.314900      -1.033400    
 H   -6.723000      -2.172900      0.3836000    
 H   -6.534400      -2.821100      -1.227500    
 H   -7.025900       2.805200      0.4958000    
 H   -6.129100       1.932000       1.714700    
 H   -5.287200       2.822200      0.4196000    
 H  -0.5632000      -1.541800      0.3703000    
 H    1.566700      -2.472600      0.5812000    
 H    1.061300       1.693900     -0.4994000    
 H    3.417600       1.974400     -0.6153000    
 H    5.106200      -2.111000      0.4999000    
 H    7.171100       2.793400      0.4114000    
 H    7.611000       1.128500      0.8564000    
 H    7.455600       1.597900     -0.8743000    


%chk=000052147-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000052147

1 1
O -1.307616 1.149298 0.502133
O 4.356583 -2.169270 -0.818523
O 5.762968 1.612859 0.503059
O 6.265295 -0.519542 -0.274535
N -5.173500 -0.068369 0.080989
N -0.202786 -0.802533 -0.214717
C -3.746836 0.217339 -0.440867
C -5.639399 -1.449672 -0.456584
C -6.124324 1.035112 -0.469478
C -5.193036 -0.053389 1.607949
C -2.667269 -0.811970 -0.061872
C -7.040579 -1.892837 -0.022051
C -5.781924 2.468790 -0.048830
C -1.316127 -0.050261 0.090882
C 1.180619 -0.442099 -0.117436
C 2.109133 -1.434402 -0.497733
C 1.614385 0.838406 0.333138
C 3.495873 -1.169404 -0.436864
C 2.992529 1.094194 0.390795
C 3.950900 0.118047 0.014966
C 5.401969 0.360698 0.064049
C 7.223667 1.892686 0.564805
H -3.430917 1.185945 -0.016703
H -3.832610 0.318919 -1.536556
H -5.569495 -1.380838 -1.556862
H -4.885943 -2.175769 -0.109119
H -6.100087 0.929046 -1.568460
H -7.133448 0.767302 -0.117588
H -4.608796 0.805111 1.968380
H -6.232232 0.028180 1.957509
H -4.753438 -0.985137 1.992527
H -2.591753 -1.631138 -0.798389
H -2.868270 -1.270255 0.925864
H -7.845785 -1.258355 -0.425984
H -7.148190 -1.959789 1.073325
H -7.207170 -2.909007 -0.421154
H -6.561128 3.130355 -0.467151
H -5.797967 2.610096 1.044594
H -4.815881 2.823218 -0.442005
H -0.369337 -1.755703 -0.549663
H 1.795237 -2.424771 -0.846300
H 0.886321 1.595524 0.623037
H 3.353436 2.068530 0.732095
H 5.314708 -1.820233 -0.717518
H 7.290684 2.925428 0.931534
H 7.712675 1.187718 1.256376
H 7.668364 1.792343 -0.438465


