%chk=000099549.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000099549

0 1
 O   -2.852600      0.3551000     -0.8849000    
 O   -4.312300      -2.152500      0.1694000    
 O   -4.612000       2.518800     -0.6887000    
 O    3.858100       1.205200      0.1551000    
 N  -0.6258000      0.1632000     -8.9900002E-02
 N   0.8631000       1.811800      0.1356000    
 N   0.8828000      -1.734200     -0.2575000    
 N    3.215500      -1.031700     -0.1121000    
 N    2.631100      -3.284400     -0.3799000    
 C   -1.919700     -0.5000000     -0.2016000    
 C   -4.022600     -0.8939000      0.7736000    
 C   -2.554600     -0.8631000       1.133000    
 C   -4.149300      0.2136000     -0.2672000    
 C   -4.528600       1.554500      0.3459000    
 C   0.6074000     -0.4284000     -0.1202000    
 C  -0.4166000       1.510300      6.4800002E-02
 C    1.514700      0.6094000      2.1400001E-02
 C    2.863800      0.2697000      2.2800000E-02
 C    2.217900      -1.939400     -0.2420000    
 C    5.195500      0.7224000      0.1403000    
 C    6.144200       1.893500      0.2821000    
 H   -1.774500      -1.386400     -0.8305000    
 H   -4.686400     -0.7774000       1.634200    
 H   -2.367700     -8.2199998E-02   1.879800    
 H   -2.169200      -1.812200       1.518200    
 H   -4.854900     -4.5600001E-02  -1.064800    
 H   -3.771200       1.896100       1.058800    
 H   -5.498400       1.494500      0.8494000    
 H   -3.839100      -2.213100     -0.6772000    
 H   -1.228500       2.222200      0.1247000    
 H   -4.856000       3.363900     -0.2741000    
 H    5.354300      2.8200001E-02  0.9740000    
 H    5.400900      0.2083000     -0.8063000    
 H    1.934700      -4.009900     -0.4801000    
 H    3.617700      -3.503600     -0.3752000    
 H    7.184800       1.557400      0.2746000    
 H    5.998300       2.609100     -0.5339000    
 H    5.954000       2.433000       1.215800    


%chk=000099549-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000099549

0 1
O -3.177274 0.156138 -1.199684
O -4.976266 -1.916096 0.096447
O -3.533700 2.738116 0.115626
O 3.595574 1.328643 -0.020535
N -0.839261 0.044992 -0.650900
N 0.616352 1.824061 -0.682584
N 0.724175 -1.777602 -0.061727
N 3.024486 -0.951184 0.233165
N 2.497036 -3.216252 0.490139
C -2.081886 -0.747063 -0.837222
C -3.986080 -1.013131 0.696422
C -2.527128 -1.493514 0.456374
C -4.016911 0.376125 0.019139
C -3.504423 1.509094 0.915751
C 0.413266 -0.478975 -0.331102
C -0.654557 1.431239 -0.868918
C 1.305045 0.639278 -0.348259
C 2.658735 0.326067 -0.039748
C 2.058465 -1.939926 0.209309
C 5.005035 0.945922 0.293243
C 5.812469 2.239087 0.250394
H -1.926433 -1.425291 -1.693635
H -4.258475 -0.988156 1.763086
H -1.867988 -1.226170 1.298424
H -2.494794 -2.586648 0.336228
H -5.018557 0.631112 -0.362812
H -2.479851 1.293752 1.284203
H -4.187392 1.587258 1.789689
H -4.854937 -1.900972 -0.888712
H -1.493051 2.070013 -1.138771
H -3.177882 3.491165 0.651038
H 5.025967 0.462153 1.286510
H 5.342618 0.206997 -0.455872
H 1.832716 -3.984338 0.474913
H 3.481678 -3.367639 0.686386
H 6.874256 2.025080 0.471780
H 5.749924 2.707888 -0.746285
H 5.437849 2.960976 0.995899


