%chk=000096421.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000096421

0 1
 O    2.061600      -1.051100      2.7300000E-02
 O   -5.736200       3.265800      2.0199999E-02
 O   -3.541300       3.446600     -5.0000002E-04
 N   -3.150900      -2.749700     -1.9500000E-02
 N   -4.591800       2.787400      6.6000000E-03
 C   -1.604300      -1.142000     -2.0999999E-03
 C   -1.792700      -2.525800     -7.1000000E-03
 C   -2.895900     -0.5448000     -1.1800000E-02
 C  -0.2891000     -0.6367000      1.0500000E-02
 C   0.7863000      -1.532300      1.7500000E-02
 C   -3.826000      -1.558500     -2.2399999E-02
 C  -0.7273000      -3.433000     -9.9999997E-05
 C   0.5683000      -2.908600      1.2300000E-02
 C    2.218700      0.3661000      3.2200001E-02
 C   -3.216600      0.8305000     -1.0400000E-02
 C    3.682100      0.6968000      1.1000000E-02
 C    4.372600      0.8418000       1.209200    
 C    4.334800      0.8547000      -1.206600    
 C   -4.475500       1.373500     -2.4000001E-03
 C    5.733100       1.148900       1.189700    
 C    5.695400       1.161800      -1.226000    
 C    6.394500       1.308800     -2.7799999E-02
 H  -0.1786000      0.4401000      1.6700000E-02
 H   -3.586000      -3.661900     -2.5599999E-02
 H   -4.907600      -1.555600     -3.1800002E-02
 H  -0.8960000      -4.504700     -4.3000001E-03
 H    1.414600      -3.591700      1.7400000E-02
 H    1.773600      0.8049000      0.9353000    
 H    1.753500      0.8158000     -0.8552000    
 H   -2.352300       1.490700     -1.2400000E-02
 H    3.868300      0.7168000       2.163500    
 H    3.801300      0.7400000      -2.146000    
 H   -5.422000      0.8528000      2.6000000E-03
 H    6.277700       1.262600       2.122500    
 H    6.210800       1.285700      -2.174000    
 H    7.453800       1.547500     -4.3099999E-02


%chk=000096421-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000096421

0 1
O 2.058515 -0.949443 0.000440
O -6.035563 3.237230 0.022904
O -3.765197 3.584592 0.016476
N -3.185134 -2.865967 -0.007882
N -4.806003 2.801933 0.014099
C -1.689753 -1.137951 -0.001400
C -1.808652 -2.563872 -0.006651
C -3.046598 -0.588248 0.000622
C -0.405772 -0.536485 0.001249
C 0.722089 -1.386935 -0.001914
C -3.924010 -1.696759 -0.003630
C -0.681873 -3.415284 -0.009533
C 0.584321 -2.812237 -0.007337
C 2.291265 0.522589 0.000977
C -3.376386 0.813690 0.005216
C 3.781968 0.753104 -0.001827
C 4.494949 0.859622 1.218493
C 4.490862 0.853759 -1.225070
C -4.631754 1.365059 0.010496
C 5.892996 1.059943 1.217749
C 5.888868 1.054037 -1.230017
C 6.592804 1.157828 -0.007545
H -0.299764 0.551394 0.005803
H -3.576597 -3.806561 -0.012074
H -5.012173 -1.715012 -0.004661
H -0.777448 -4.506105 -0.013371
H 1.500650 -3.409172 -0.009457
H 1.816125 0.955917 0.904307
H 1.812362 0.956679 -0.899967
H -2.547143 1.534278 0.004392
H 3.952332 0.780677 2.168391
H 3.944985 0.770240 -2.172703
H -5.582337 0.830109 0.012999
H 6.434136 1.142169 2.166739
H 6.426838 1.131708 -2.181192
H 7.676992 1.316675 -0.009725


