%chk=000039262.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000039262

0 1
 O   -2.427500      0.5357000      -1.636900    
 O   0.3987000      0.1604000      -2.364500    
 N   3.0300001E-02  -1.554100     -0.7850000    
 N    4.214300     -0.7689000      0.2887000    
 C   -1.396200      0.3388000     -0.6897000    
 C   -1.752900     -0.6905000      0.3498000    
 C  -0.8824000      -1.777800      0.2546000    
 C  -0.2022000     -0.3215000      -1.414400    
 C    1.077000      -2.474900      -1.160900    
 C   -1.001400       1.655800     -0.1158000    
 C    2.352600      -2.276400     -0.3445000    
 C   -2.765400     -0.6752000       1.294900    
 C  -0.9856000      -2.870800       1.097600    
 C    2.995700     -0.8955000     -0.5016000    
 C   9.5399998E-02   1.743900      0.7428000    
 C   -1.728100       2.803800     -0.4355000    
 C   -2.883900      -1.770300       2.154200    
 C   -2.000400      -2.858400       2.056900    
 C   -2.849100     -0.6916000      -2.222700    
 C   0.4647000       2.976900       1.280600    
 C   -1.358700       4.036700      0.1021000    
 C  -0.2623000       4.123300      0.9602000    
 C    4.800800      0.5544000      0.1306000    
 C    6.066700      0.6963000      0.9585000    
 H    1.306300      -2.316600      -2.221600    
 H   0.7132000      -3.503600      -1.066100    
 H    3.075000      -3.045200     -0.6471000    
 H    2.135700      -2.451500      0.7171000    
 H   -3.450600      0.1619000       1.372300    
 H  -0.3116000      -3.717200       1.033100    
 H    2.290000     -0.1257000     -0.1832000    
 H    3.217400     -0.7265000      -1.562600    
 H   0.6663000      0.8656000       1.026400    
 H   -2.592000       2.784000      -1.093000    
 H   -3.668200      -1.782400       2.906400    
 H   -2.110500      -3.699900       2.735800    
 H   -3.339200      -1.356200      -1.506000    
 H   -2.050700      -1.209500      -2.761300    
 H   -3.608300     -0.4374000      -2.970200    
 H    4.885500      -1.481900      4.9999999E-03
 H    1.315600       3.043400       1.952200    
 H   -1.925500       4.929500     -0.1454000    
 H   2.4200000E-02   5.083000       1.380000    
 H    5.045000      0.7417000     -0.9218000    
 H    4.088700       1.324100      0.4511000    
 H    5.861100      0.5457000       2.023700    
 H    6.825600     -3.0500000E-02  0.6497000    
 H    6.489500       1.698500      0.8349000    


%chk=000039262-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000039262

0 1
O -2.774953 0.550952 -1.409070
O 0.034832 0.086937 -2.599807
N -0.011444 -1.545572 -0.887440
N 4.206065 -0.730013 0.201623
C -1.561868 0.283871 -0.622927
C -1.746511 -0.775938 0.456381
C -0.798477 -1.815022 0.267196
C -0.424035 -0.360552 -1.519747
C 1.088336 -2.385132 -1.387048
C -1.071324 1.644026 -0.112783
C 2.389944 -2.236201 -0.562847
C -2.663414 -0.838450 1.513779
C -0.736038 -2.925354 1.129551
C 2.971242 -0.809008 -0.606764
C -0.388040 1.764890 1.122513
C -1.240674 2.789077 -0.930169
C -2.624716 -1.955100 2.390753
C -1.668082 -2.979597 2.197353
C -3.292188 -0.609445 -2.148570
C 0.107868 3.019489 1.542747
C -0.751083 4.042566 -0.503870
C -0.074463 4.163361 0.732728
C 4.772250 0.631449 0.341766
C 6.043776 0.608354 1.207245
H 1.263301 -2.072732 -2.432932
H 0.755594 -3.440699 -1.395244
H 3.129586 -2.954406 -0.973854
H 2.223702 -2.517078 0.493857
H -3.394739 -0.035460 1.654429
H -0.000798 -3.724222 0.992117
H 2.240150 -0.098946 -0.173474
H 3.113963 -0.498426 -1.672581
H -0.250381 0.885843 1.761922
H -1.762561 2.683561 -1.884451
H -3.334209 -2.022354 3.221963
H -1.642927 -3.832985 2.884351
H -3.522534 -1.454970 -1.470553
H -2.578024 -0.936923 -2.929499
H -4.218705 -0.254878 -2.625658
H 4.919793 -1.393267 -0.136043
H 0.630538 3.102987 2.502365
H -0.893574 4.924366 -1.138720
H 0.306907 5.137239 1.060387
H 5.000922 1.107408 -0.645308
H 4.003910 1.267208 0.824349
H 5.822084 0.184534 2.202350
H 6.834524 -0.009996 0.739477
H 6.449076 1.628008 1.337560


