%chk=000036346.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000036346

0 1
 O  -0.8424000     -0.1528000     -0.7289000    
 O   -3.879800     -0.2356000     -0.1422000    
 O   -4.673900       1.175800       1.470600    
 N   -3.148800       1.950400     -0.1049000    
 N   0.1036000       1.900800     -0.6739000    
 C   0.4670000     -0.2986000     -0.3830000    
 C    1.037100      0.9497000     -0.3510000    
 C   -2.323000       1.660500      -1.268400    
 C  -0.9506000       1.181100     -0.8769000    
 C   0.9056000      -1.644200     -0.1494000    
 C    2.399700       1.241500     -3.0700000E-02
 C    2.231800      -2.009200     -0.4042000    
 C   9.8000001E-03  -2.603600      0.3345000    
 C    3.367200       1.279500      -1.039200    
 C    2.773800       1.491100       1.293000    
 C   -3.079200       3.316100      0.4057000    
 C   -3.960500      0.9781000      0.4884000    
 C    2.657400      -3.318200     -0.1779000    
 C   0.4353000      -3.912600      0.5609000    
 C    4.696500       1.564400     -0.7270000    
 C    4.103000       1.776100       1.605400    
 C    1.759000      -4.269800      0.3047000    
 C    5.064400       1.812700      0.5954000    
 C   -4.682300      -1.287400      0.4068000    
 C   -4.470600      -2.545600     -0.4079000    
 H   -2.236100       2.567000      -1.878600    
 H   -2.807300      0.9057000      -1.898000    
 H    2.958100      -1.317400     -0.8113000    
 H   -1.025500      -2.351300      0.5516000    
 H    3.097800       1.090600      -2.076100    
 H    2.037200       1.466600       2.093000    
 H   -3.420200       4.003100     -0.3740000    
 H   -2.044800       3.545700      0.6761000    
 H   -3.713100       3.436900       1.287900    
 H    3.686100      -3.598900     -0.3845000    
 H  -0.2637000      -4.653400      0.9381000    
 H    5.445000       1.593200      -1.513400    
 H    4.389700       1.969300       2.635000    
 H    2.089900      -5.289400      0.4796000    
 H    6.099400       2.034500      0.8386000    
 H   -4.386600      -1.466200       1.446500    
 H   -5.738100     -0.9969000      0.3720000    
 H   -5.068800      -3.372000     -1.4100000E-02
 H   -4.745300      -2.377200      -1.454500    
 H   -3.415600      -2.837600     -0.4002000    


%chk=000036346-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000036346

0 1
O -0.669092 -0.366544 -0.240947
O -4.432028 -0.183093 -0.578680
O -4.944035 0.926412 1.428480
N -3.106827 1.576025 0.114458
N 0.259344 1.621853 -0.849175
C 0.736655 -0.470908 -0.022707
C 1.297216 0.762766 -0.380835
C -2.268034 1.366634 -1.082179
C -0.868614 0.935246 -0.750163
C 1.209004 -1.784033 0.424908
C 2.675367 1.281532 -0.290486
C 2.503594 -2.260288 0.073990
C 0.348790 -2.627021 1.184398
C 3.073527 2.330074 -1.164859
C 3.604017 0.808544 0.677176
C -2.731467 2.665357 1.030890
C -4.210390 0.793498 0.412022
C 2.930869 -3.536817 0.492428
C 0.781597 -3.903387 1.598351
C 4.374671 2.869553 -1.093586
C 4.903648 1.352283 0.747833
C 2.075788 -4.363263 1.259674
C 5.298768 2.380253 -0.140594
C -5.601144 -1.072839 -0.329270
C -5.653058 -2.057682 -1.493294
H -2.179137 2.313810 -1.646143
H -2.759482 0.614644 -1.717719
H 3.163969 -1.640104 -0.540187
H -0.654220 -2.272883 1.442739
H 2.346161 2.715329 -1.886246
H 3.304198 0.033432 1.390053
H -2.734479 3.635175 0.498253
H -1.721243 2.500009 1.448783
H -3.462898 2.696194 1.851819
H 3.928211 -3.891557 0.210141
H 0.109855 -4.538780 2.185843
H 4.667059 3.673639 -1.778084
H 5.604642 0.981569 1.504088
H 2.411469 -5.354695 1.582848
H 6.309053 2.800421 -0.083767
H -5.457472 -1.576529 0.643583
H -6.510637 -0.448934 -0.261823
H -6.502992 -2.751197 -1.357375
H -5.787213 -1.529280 -2.452915
H -4.724811 -2.651924 -1.548126


