%chk=000036565.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000036565

0 1
 O   0.2796000      -3.576900      8.8200003E-02
 O  -0.1244000       3.436000      0.3100000    
 O   -1.695800      -2.639200      0.2827000    
 O   -1.978400       2.267500      0.4372000    
 N   -2.012900     -0.1964000      0.3748000    
 N  -0.4495000      -2.561600      0.1777000    
 N  -0.7318000       2.340300      0.3329000    
 C    3.654800      0.1450000     -0.1025000    
 C    2.171400      5.5599999E-02  2.3399999E-02
 C    4.150600     -0.5123000      -1.427800    
 C    4.367900     -0.5830000       1.079000    
 C    4.241500       1.595600     -0.1124000    
 C   -2.912200     -0.2102000     -0.7601000    
 C  -0.6370000     -0.1136000      0.2593000    
 C    1.547000      -1.191400      4.3299999E-02
 C    1.408300       1.219100      0.1201000    
 C   0.1595000      -1.275100      0.1599000    
 C   2.0700000E-02   1.135800      0.2366000    
 C   -4.256300      0.4222000     -0.3798000    
 C   -2.257900      0.5494000      -1.909500    
 C   -4.945000     -0.3068000      0.7670000    
 H   -3.091200      -1.238000      -1.093600    
 H    5.237500     -0.4198000      -1.536300    
 H    3.912000      -1.580600      -1.470400    
 H    3.683900     -3.4499999E-02  -2.297300    
 H    4.135500      -1.653200       1.102000    
 H    5.457800     -0.4912000       1.004000    
 H    4.059800     -0.1570000       2.041200    
 H    5.334200       1.577700     -0.2069000    
 H    3.858500       2.179400     -0.9577000    
 H    4.011200       2.129700      0.8169000    
 H    2.153400      -2.089900     -3.3199999E-02
 H    1.881400       2.194300      0.1055000    
 H   -2.317000     -0.7669000       1.159600    
 H   -4.918500      0.3872000      -1.254500    
 H   -4.161300       1.479300     -0.1163000    
 H   -2.883500      0.4177000      -2.803100    
 H   -2.194700       1.629900      -1.778900    
 H   -1.275500      0.1575000      -2.192000    
 H   -4.402300     -0.1819000       1.708800    
 H   -5.952900      9.5399998E-02  0.9133000    
 H   -5.036600      -1.377000      0.5561000    


%chk=000036565-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000036565

0 1
O 0.661159 -3.766856 0.486942
O -0.298014 3.280124 -0.461375
O -1.503063 -3.076283 0.401772
O -1.820446 2.201929 0.849733
N -2.019559 -0.599306 -0.244896
N -0.210621 -2.821603 0.366855
N -0.773819 2.207511 0.088707
C 3.781088 0.138099 -0.027289
C 2.243940 -0.002346 -0.004606
C 4.355560 -0.744209 -1.176618
C 4.364384 -0.346029 1.334637
C 4.225817 1.604063 -0.262092
C -3.122053 0.087953 -0.994368
C -0.693390 -0.339246 -0.043539
C 1.642326 -1.260519 0.195749
C 1.364992 1.097556 -0.123597
C 0.242380 -1.442821 0.186087
C -0.034557 0.949243 -0.083089
C -4.238875 0.640845 -0.065536
C -2.660705 1.104091 -2.060798
C -4.820123 -0.420041 0.892160
H -3.579564 -0.761510 -1.547440
H 5.459058 -0.676194 -1.189409
H 4.085730 -1.808278 -1.051756
H 3.977493 -0.410092 -2.160114
H 4.104724 -1.399988 1.541236
H 5.467072 -0.267685 1.322546
H 3.983371 0.268691 2.170500
H 5.328922 1.652399 -0.296437
H 3.844978 2.002639 -1.220778
H 3.891291 2.273039 0.552533
H 2.246563 -2.157854 0.355158
H 1.745838 2.118832 -0.198108
H -2.232339 -1.591146 -0.013955
H -5.040130 1.020818 -0.730909
H -3.853686 1.500615 0.504962
H -3.473201 1.214243 -2.800895
H -2.465834 2.105535 -1.649611
H -1.764128 0.753831 -2.603070
H -4.058103 -0.772384 1.610373
H -5.657555 0.000630 1.476669
H -5.205123 -1.300196 0.340866


