%chk=000033867.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000033867

0 1
 O   0.5936000      -4.155900      0.2468000    
 O   -4.268800      0.7616000     -3.1300001E-02
 O   -2.451600       1.024300       1.364400    
 N    1.437100       1.203800     -0.5396000    
 C  -0.6735000      0.5553000     -0.7683000    
 C   0.1106000     -0.5876000     -0.4457000    
 C   0.1700000       1.641000     -0.8190000    
 C    1.430600     -0.1532000     -0.3074000    
 C   -2.131800      0.5740000      -1.007800    
 C    2.614900       2.045800     -0.4937000    
 C  -0.1769000      -1.954200     -0.2574000    
 C    2.481600      -1.020500      1.1300000E-02
 C  -0.1228000       3.060600      -1.111100    
 C   0.8644000      -2.833300      6.1700001E-02
 C    2.172400      -2.371400      0.1936000    
 C    2.843100       2.598900      0.8785000    
 C   -2.934200      0.8148000      0.2598000    
 C    3.955600       2.388000       1.590800    
 C  -0.7640000      -4.566100      9.7999997E-02
 C   -5.150100      0.9741000       1.076400    
 H   -2.394900       1.353000      -1.732000    
 H   -2.452200     -0.3857000      -1.430400    
 H    3.469100       1.460100     -0.8513000    
 H    2.491300       2.864600      -1.210000    
 H   -1.210100      -2.258900     -0.3695000    
 H    3.503400     -0.6734000      0.1193000    
 H   0.2839000       3.722300     -0.3404000    
 H   0.2978000       3.350600      -2.079500    
 H   -1.199500       3.252300      -1.151600    
 H    2.970500      -3.066900      0.4429000    
 H    2.064600       3.221000       1.312500    
 H    4.066400       2.822500       2.578300    
 H    4.768800       1.782500       1.206400    
 H  -0.7965000      -5.645600      0.2786000    
 H   -1.125000      -4.403400     -0.9232000    
 H   -1.411200      -4.098600      0.8480000    
 H   -4.992800       1.970700       1.499600    
 H   -4.995800      0.2021000       1.836300    
 H   -6.178200      0.9063000      0.7107000    


%chk=000033867-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000033867

0 1
O 0.245382 -4.052272 0.404647
O -3.615082 -0.057914 0.286902
O -3.331254 2.254822 0.223635
N 1.433714 1.334294 -0.543215
C -0.730210 0.755607 -1.014943
C -0.040004 -0.424791 -0.534385
C 0.186882 1.817142 -0.997669
C 1.310675 -0.036151 -0.248858
C -2.181032 0.821078 -1.441777
C 2.661681 2.123333 -0.360511
C -0.451276 -1.769575 -0.325359
C 2.264131 -0.961631 0.231932
C -0.018349 3.257067 -1.374782
C 0.507166 -2.687895 0.149868
C 1.851375 -2.290851 0.425057
C 2.964254 2.429764 1.098959
C -3.089650 1.122160 -0.252822
C 4.175091 2.256003 1.681698
C -1.110773 -4.527125 0.140865
C -4.442129 0.109763 1.507622
H -2.338047 1.621101 -2.185485
H -2.487655 -0.137028 -1.894501
H 3.515223 1.587907 -0.818202
H 2.538532 3.069163 -0.919583
H -1.488789 -2.059881 -0.513124
H 3.290274 -0.663685 0.467875
H 0.244967 3.944669 -0.548388
H 0.579409 3.552800 -2.259580
H -1.080202 3.434821 -1.606466
H 2.544370 -3.050512 0.798695
H 2.120426 2.824535 1.683245
H 4.348694 2.514786 2.731629
H 5.030692 1.851207 1.125396
H -1.099039 -5.597681 0.395133
H -1.383884 -4.399776 -0.925820
H -1.854568 -4.001468 0.772588
H -5.296684 0.776357 1.302753
H -3.834121 0.540109 2.320927
H -4.780387 -0.904753 1.760745


