%chk=000170090.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000170090

1 1
 O  -0.5689000      -2.641800      0.6463000    
 O   -3.629200       1.783000     -0.5670000    
 O    1.012700       2.068300     -0.4483000    
 N   0.6847000     -0.1909000      9.3199998E-02
 N   -4.861900     -0.6599000     -1.6300000E-02
 N   -5.948700     -0.7564000     -3.6600001E-02
 C  -0.7258000     -0.3190000      6.7400001E-02
 C   -1.314700      -1.541600      0.3442000    
 C   -1.488100      0.7969000     -0.2376000    
 C   -2.878200      0.6866000     -0.2668000    
 C   -2.704900      -1.651900      0.3151000    
 C   -3.486600     -0.5378000      9.6000005E-03
 C    2.902800      0.7633000     -7.9499997E-02
 C    1.462100      0.9488000     -0.1550000    
 C    5.665500      0.4057000      6.8499997E-02
 C    3.728100       1.837300      0.2532000    
 C    3.458700     -0.4896000     -0.3383000    
 C  -0.7026000      -3.770700     -0.2144000    
 C    5.109500       1.658400      0.3272000    
 C    4.840100     -0.6683000     -0.2643000    
 C   -3.500100       2.912400      0.2943000    
 C    7.142700      0.2153000      0.1466000    
 C   0.6084000      -4.527100     -0.2429000    
 C   -4.805500       3.679000      0.3013000    
 H   -1.082700       1.767900     -0.4750000    
 H   -3.186400      -2.601000      0.5380000    
 H    1.158000      -1.048400      0.3653000    
 H    3.314800       2.820300      0.4643000    
 H    2.861300      -1.345700     -0.6377000    
 H   -1.497800      -4.418500      0.1701000    
 H  -0.9611000      -3.460700      -1.234700    
 H    5.742000       2.502200      0.5902000    
 H    5.262400      -1.647500     -0.4744000    
 H   -3.259600       2.600800       1.318500    
 H   -2.695000       3.554900     -7.8199998E-02
 H    7.478100     -0.5641000     -0.5460000    
 H    7.674300       1.134100     -0.1237000    
 H    7.431200     -7.0900001E-02   1.162900    
 H   0.5380000      -5.408300     -0.8867000    
 H    1.415500      -3.884400     -0.6100000    
 H   0.8910000      -4.847500      0.7653000    
 H   -4.738100       4.560500      0.9449000    
 H   -5.069500       4.000300     -0.7117000    
 H   -5.623300       3.043400      0.6567000    


%chk=000170090-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000170090

1 1
O -0.331647 -2.604876 -0.147414
O -3.941173 1.672091 0.119187
O 0.904805 2.117204 0.300150
N 0.627877 -0.196047 0.054836
N -4.879745 -0.804884 -0.098364
N -6.045611 -0.882745 -0.129139
C -0.748774 -0.270059 0.026615
C -1.303349 -1.617630 -0.089887
C -1.611179 0.854039 0.101817
C -3.003834 0.679364 0.058843
C -2.676347 -1.814890 -0.132805
C -3.535335 -0.663565 -0.059469
C 2.907838 0.755695 0.119938
C 1.440231 0.978266 0.164449
C 5.760360 0.513976 0.069387
C 3.737746 1.872634 0.419396
C 3.524482 -0.482933 -0.216507
C -0.755340 -4.034239 -0.253678
C 5.135547 1.750545 0.396049
C 4.927403 -0.594663 -0.241414
C -3.491151 3.106843 0.242028
C 7.268368 0.386950 0.062702
C 0.511148 -4.878639 -0.284678
C -4.750620 3.958760 0.274890
H -1.153650 1.840032 0.197918
H -3.117768 -2.809488 -0.220846
H 1.099242 -1.106725 0.003755
H 3.258617 2.825352 0.665992
H 2.939559 -1.369063 -0.495037
H -1.386647 -4.270559 0.625235
H -1.349434 -4.148269 -1.181475
H 5.758475 2.620682 0.631619
H 5.387912 -1.551117 -0.511695
H -2.899283 3.194213 1.172022
H -2.851644 3.333754 -0.631171
H 7.600831 -0.552896 -0.407713
H 7.740120 1.228295 -0.475765
H 7.667096 0.404044 1.095231
H 0.237325 -5.946040 -0.357854
H 1.136500 -4.627288 -1.157665
H 1.103656 -4.740906 0.635122
H -4.464778 5.021821 0.366031
H -5.338230 3.840191 -0.650315
H -5.386400 3.700171 1.137678


