%chk=000031729.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000031729

0 1
 O    2.302700       2.093000      -1.080100    
 O    7.058900      -1.778100     -0.1188000    
 O   -7.409300      -1.627900     -7.4400000E-02
 N  -0.1661000       1.252100      8.0100000E-02
 C    1.014900      0.3797000      8.2800001E-02
 C    2.297200       1.242000      6.9300003E-02
 C   -1.383300      0.4609000      3.2099999E-02
 C   0.9294000     -0.5268000       1.312300    
 C    3.574600      0.4315000      1.8900000E-02
 C   -2.623500       1.358200      2.2000000E-02
 C   -3.896100      0.5639000     -3.5000001E-03
 C    4.524800      0.6072000       1.009200    
 C    3.763400     -0.4668000      -1.016600    
 C   -4.462200      0.2104000      -1.222900    
 C   -4.497300      0.1890000       1.192600    
 C    5.702100     -0.1394000      0.9624000    
 C    4.940600      -1.213600      -1.063300    
 C    5.910100      -1.050000     -7.3700003E-02
 C   -5.645400     -0.5278000      -1.246600    
 C   -5.680600     -0.5494000       1.169000    
 C   -6.254700     -0.9079000     -5.0700001E-02
 H   0.9851000     -0.2409000     -0.8219000    
 H    2.305100       1.901100      0.9465000    
 H  -0.1291000       1.878900     -0.7231000    
 H   -1.390000     -0.1817000     -0.8576000    
 H   -1.486400     -0.1847000      0.9097000    
 H    1.876300      -1.048600       1.486900    
 H   0.7059000      3.9999999E-02   2.223700    
 H   0.1860000      -1.322200       1.197600    
 H   -2.595600       2.030700     -0.8460000    
 H   -2.621200       2.015200      0.9023000    
 H    4.373900       1.312400       1.821100    
 H    3.026200     -0.5996000      -1.802400    
 H    1.779600       1.671600      -1.782500    
 H   -3.995200      0.4992000      -2.160500    
 H   -4.057800      0.4611000       2.148300    
 H    6.449400     -2.7000001E-03   1.739500    
 H    5.098200      -1.919400      -1.874400    
 H   -6.087700     -0.8044000      -2.199900    
 H   -6.145000     -0.8395000       2.107600    
 H    7.614700      -1.537500      0.6422000    
 H   -7.690200      -1.802900      0.8404000    


%chk=000031729-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000031729

0 1
O 1.989139 2.022992 -0.952820
O 7.365232 -1.454416 -0.483485
O -7.736096 -1.390761 -0.434950
N -0.200029 0.962483 0.358761
C 1.011830 0.114969 0.309172
C 2.227133 1.075076 0.183138
C -1.488571 0.264544 0.192553
C 1.135325 -0.765625 1.570737
C 3.575669 0.391116 0.041971
C -2.652559 1.287485 0.146948
C -4.008269 0.612981 0.011754
C 4.670920 0.788373 0.846357
C 3.791641 -0.626566 -0.929261
C -4.520625 0.243633 -1.260726
C -4.781887 0.293638 1.155203
C 5.942558 0.193704 0.701235
C 5.054562 -1.226210 -1.092899
C 6.131965 -0.815048 -0.273731
C -5.756344 -0.420440 -1.394988
C -6.023294 -0.371784 1.042584
C -6.507562 -0.729191 -0.238124
H 1.000614 -0.558907 -0.589638
H 2.220002 1.736458 1.067924
H -0.093307 1.733984 -0.318621
H -1.524394 -0.368549 -0.731820
H -1.652381 -0.418888 1.047676
H 2.047117 -1.387293 1.536047
H 1.167796 -0.127704 2.472571
H 0.268588 -1.443166 1.664811
H -2.482756 1.978032 -0.704153
H -2.604577 1.895998 1.068934
H 4.527951 1.575823 1.595330
H 2.962764 -0.968127 -1.561007
H 2.391088 1.633303 -1.770920
H -3.945448 0.486861 -2.162711
H -4.412200 0.572370 2.149496
H 6.776738 0.514674 1.338645
H 5.225630 -2.010100 -1.836565
H -6.154174 -0.700869 -2.374884
H -6.607859 -0.604131 1.942833
H 8.055098 -1.105080 0.133705
H -8.184628 -1.559341 0.430516


