%chk=000047874.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000047874

1 1
 O   0.8839000      0.8154000     -0.4976000    
 O   -3.247900     -0.8415000     -0.5044000    
 O  -0.9791000       1.878800      -1.296600    
 O   -1.355000      -1.973900      -1.116600    
 N    3.560600     -6.8099998E-02  0.1515000    
 C   -1.198500      2.4700001E-02  0.2744000    
 C  -8.8900000E-02 -0.4989000       1.168700    
 C    1.139800     -0.3508000      0.2951000    
 C   -2.343500      0.6302000       1.065900    
 C    2.418800     -0.1607000       1.088900    
 C   -3.534300      0.3957000      0.1594000    
 C  -0.4660000       1.022900     -0.5920000    
 C   -1.895700      -1.054500     -0.5211000    
 C    4.881300      0.1253000      0.9123000    
 C    3.682700      -1.345900     -0.6927000    
 C    3.388300       1.119200     -0.8081000    
 C   -4.846500      0.2821000      0.9128000    
 H  -0.2311000      -1.532700       1.500700    
 H   5.7000001E-03  0.1309000       2.063000    
 H    1.181300      -1.215600     -0.3728000    
 H   -2.213900       1.692100       1.299200    
 H   -2.476200      9.1600001E-02   2.013300    
 H    2.594900      -1.004300       1.766600    
 H    2.393900      0.7669000       1.673900    
 H   -3.615500       1.177100     -0.6053000    
 H    5.703000      0.1746000      0.1917000    
 H    5.012300     -0.7275000       1.584700    
 H    4.810700       1.057100       1.480900    
 H    4.648100      -1.318400      -1.208700    
 H    3.641700      -2.208800     -2.1700000E-02
 H    2.891500      -1.384200      -1.444600    
 H    2.757300      0.8434000      -1.656300    
 H    4.376200       1.354400      -1.220600    
 H    3.029700       1.987900     -0.2481000    
 H   -5.666500      7.3899999E-02  0.2172000    
 H   -4.823200     -0.5506000       1.624500    
 H   -5.072800       1.204600       1.455600    


%chk=000047874-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000047874

1 1
O 0.813643 0.730426 -0.619145
O -3.171353 -1.051553 -0.396715
O -1.095374 1.846071 -1.353338
O -1.129484 -2.148209 -0.581525
N 3.679972 -0.056891 0.042410
C -1.253046 0.123200 0.475409
C -0.068924 -0.251896 1.399910
C 1.112675 -0.327976 0.397019
C -2.523774 0.762723 1.072550
C 2.474590 -0.048893 1.023930
C -3.662440 0.298339 0.125025
C -0.591159 1.009468 -0.603036
C -1.808815 -1.162619 -0.237633
C 4.955201 -0.216438 0.873126
C 3.585728 -1.212498 -0.954900
C 3.754868 1.269348 -0.728915
C -5.025400 0.088292 0.766652
H -0.228073 -1.213687 1.912581
H 0.091712 0.541487 2.153980
H 1.073184 -1.302125 -0.119025
H -2.469065 1.862268 1.118369
H -2.699190 0.370151 2.090651
H 2.678843 -0.829561 1.778810
H 2.489058 0.938250 1.517214
H -3.722477 0.945636 -0.767105
H 5.828724 -0.095049 0.214900
H 4.968777 -1.217754 1.330322
H 4.973097 0.555618 1.657642
H 4.531781 -1.262593 -1.515430
H 3.426220 -2.155935 -0.410410
H 2.755425 -1.027105 -1.650820
H 2.794352 1.437723 -1.234042
H 4.578680 1.200825 -1.456044
H 3.953020 2.082859 -0.013943
H -5.744663 -0.311050 0.033240
H -4.964051 -0.613104 1.616487
H -5.415162 1.054654 1.134901


