%chk=000086551.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000086551

0 1
 O   0.2206000       2.462500     -0.1121000    
 O   -1.791800      0.5737000      -1.350100    
 O  -0.9681000       4.392100     -0.4595000    
 O   -4.015500      -2.063500     -0.4936000    
 O   -3.146400      -3.593000      -1.913300    
 N   -2.011100       2.503300      0.3758000    
 N   -1.698300      -1.107400      0.2574000    
 C   -1.901400       1.173400      0.9577000    
 C   -3.200600      0.9863000       1.733200    
 C   -4.200800       1.851300      0.9680000    
 C   -3.362700       3.035400      0.5114000    
 C   -1.785500      0.2034000     -0.1790000    
 C  -0.9210000       3.218700     -9.7199999E-02
 C   -1.600900      -2.235000     -0.6412000    
 C  -0.8384000      -3.396500      9.3999999E-03
 C   -2.978800      -2.702500      -1.086500    
 C   0.5573000      -3.016200      0.4416000    
 C    1.401700       3.119800     -0.5850000    
 C    1.626500      -3.167700     -0.4413000    
 C   0.7778000      -2.512700       1.723800    
 C    2.551100       2.156500     -0.5359000    
 C    2.916000      -2.816300     -4.2199999E-02
 C    2.067300      -2.161200       2.122700    
 C    3.136400      -2.313000       1.239700    
 C    3.336900       2.066300      0.6132000    
 C    2.833900       1.350900      -1.639000    
 C    4.405300       1.170700      0.6591000    
 C    3.902400      0.4554000      -1.593100    
 C    4.688000      0.3653000     -0.4439000    
 H   -1.016800       1.094200       1.599000    
 H   -3.082400       1.391000       2.746200    
 H   -3.546200     -4.6900000E-02   1.824500    
 H   -5.058100       2.152400       1.576200    
 H   -4.576500       1.300100      9.7499996E-02
 H   -3.697700       3.466900     -0.4361000    
 H   -3.334300       3.826500       1.268500    
 H   -1.776400      -1.300200       1.251600    
 H   -1.079700      -1.892800      -1.544200    
 H  -0.7829000      -4.247200     -0.6828000    
 H   -1.393900      -3.773000      0.8798000    
 H    1.244400       3.468700      -1.613200    
 H    1.614400       3.994800      4.1499998E-02
 H    1.466900      -3.556900      -1.443300    
 H  -4.3299999E-02  -2.395400       2.425800    
 H   -4.882000      -2.398900     -0.8083000    
 H    3.748600      -2.937100     -0.7290000    
 H    2.239700      -1.771600       3.121700    
 H    4.141100      -2.046900       1.554300    
 H    3.124800       2.686400       1.480100    
 H    2.227100       1.409500      -2.538700    
 H    5.016200       1.099200       1.554100    
 H    4.121700     -0.1733000      -2.451100    
 H    5.519900     -0.3320000     -0.4083000    


%chk=000086551-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000086551

0 1
O 0.515866 0.641259 0.288011
O -3.932227 -0.393286 0.341615
O 0.635477 2.243147 -1.451953
O -3.014033 -2.720272 2.236955
O -4.042856 -3.935822 0.543941
N -1.361594 1.836672 -0.304258
N -1.739491 -1.137843 0.353704
C -2.130288 1.253114 0.834638
C -3.262405 2.281276 1.044122
C -3.534586 2.818676 -0.385656
C -2.134765 2.875001 -1.043831
C -2.691607 -0.155427 0.486199
C -0.033283 1.640958 -0.568622
C -2.125851 -2.496661 -0.027742
C -0.896823 -3.445283 -0.054250
C -3.183302 -3.105395 0.904588
C 0.250173 -3.013702 -0.966773
C 2.005019 0.444730 0.160249
C 0.043622 -2.254832 -2.147291
C 1.571592 -3.426672 -0.652489
C 2.758831 1.326987 1.130496
C 1.127553 -1.919480 -2.989732
C 2.656699 -3.102021 -1.497558
C 2.437877 -2.343645 -2.670892
C 3.093956 2.660477 0.776632
C 3.139860 0.834666 2.404641
C 3.791031 3.485994 1.686065
C 3.838663 1.659118 3.314800
C 4.165180 2.987972 2.956654
H -1.463912 1.156782 1.710412
H -2.909064 3.089997 1.709031
H -4.153227 1.807274 1.483725
H -4.022178 3.807362 -0.383012
H -4.186976 2.108892 -0.922044
H -2.151791 2.648483 -2.123737
H -1.644586 3.858381 -0.913443
H -0.746621 -0.873139 0.425165
H -2.616483 -2.489964 -1.020801
H -1.265753 -4.438827 -0.376592
H -0.519761 -3.567319 0.979040
H 2.137611 -0.626360 0.378962
H 2.273382 0.653891 -0.888578
H -0.962651 -1.913397 -2.414764
H 1.749142 -4.015453 0.256612
H -3.732561 -3.137890 2.784260
H 0.949028 -1.324140 -3.891834
H 3.667686 -3.437351 -1.239933
H 3.276693 -2.084552 -3.326155
H 2.794758 3.041250 -0.206600
H 2.888050 -0.196409 2.683124
H 4.046201 4.513695 1.404256
H 4.130294 1.268243 4.296105
H 4.708933 3.628347 3.660438


