%chk=000121351.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000121351

0 1
 O   -2.810900      0.7689000      -1.268800    
 O  -2.9400000E-02   3.080300      7.5599998E-02
 O    1.437400      -3.410500     -0.9998000    
 O    2.857500       1.321100       1.197400    
 O    4.831000     -0.5480000      0.7024000    
 O   -5.629200      -1.831000      0.3610000    
 O   -4.894200       1.269000     -0.4046000    
 O  -0.3195000       4.704800       1.680800    
 O    5.112500      0.3385000      -1.432500    
 N  -0.5315000      -1.261000     -0.3665000    
 N   -3.361900      -2.192900      0.7442000    
 N   1.0500000E-02   5.245600     -0.5296000    
 C   -2.854600      -1.538800     -0.4409000    
 C   -2.526500     -4.8500001E-02 -0.1424000    
 C   -1.061700     -7.4000001E-02  4.9100000E-02
 C   -1.522800      -2.181500     -0.8966000    
 C  -3.9799999E-02  0.7061000      0.5238000    
 C   0.8070000      -1.290500     -0.1895000    
 C    1.151000     -7.0299998E-02  0.3704000    
 C  -0.1599000       2.067600       1.078000    
 C    1.743900      -2.334000     -0.4968000    
 C    2.517500      0.2538000      0.7018000    
 C    3.178700      -2.019500     -0.1557000    
 C    3.511400     -0.8308000      0.3917000    
 C   -4.710800      -2.281100       1.041000    
 C   -4.038500       1.372700      -1.273000    
 C    4.169300      -3.105000     -0.4674000    
 C   -4.964500      -3.034600       2.319100    
 C   -4.197500       2.198400      -2.513600    
 C  -0.1302000       4.367900      0.5168000    
 C    5.526400      4.5499999E-02 -0.3181000    
 C    6.929400      0.3120000      0.1428000    
 H   -3.608400      -1.637600      -1.230600    
 H   -3.018000      0.3216000      0.7658000    
 H   -1.415300      -2.167800      -1.985700    
 H   -1.344300      -3.181300     -0.4925000    
 H   -2.688800      -2.558100       1.412300    
 H   -1.143700       2.177300       1.553100    
 H   0.5916000       2.231800       1.858600    
 H    5.185900      -2.864100     -0.1428000    
 H    3.884200      -4.035300      3.5599999E-02
 H    4.201100      -3.289600      -1.546300    
 H   -6.025100      -2.975300       2.578300    
 H   -4.685400      -4.083700       2.188100    
 H   -4.378700      -2.599800       3.134100    
 H   -4.126500       1.557700      -3.396100    
 H   -5.181200       2.676500      -2.507800    
 H   -3.431400       2.977300      -2.540100    
 H   0.1656000       4.917600      -1.477000    
 H  -3.6699999E-02   6.248900     -0.3877000    
 H    6.916600       1.005800      0.9870000    
 H    7.499200      0.7653000     -0.6735000    
 H    7.412600     -0.6276000      0.4225000    


%chk=000121351-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000121351

0 1
O -3.288684 0.363501 -1.451303
O 0.325695 2.992772 0.009174
O 1.179925 -3.497231 -1.061894
O 2.671477 1.388150 1.041831
O 4.628665 -0.371246 0.250450
O -5.630309 -2.977583 0.389553
O -3.567870 2.414334 -0.377126
O 0.885559 4.357638 1.856445
O 4.603164 1.415085 -1.278831
N -0.820587 -1.370752 -0.375935
N -3.488015 -2.353546 1.049961
N 1.907304 4.601988 -0.245503
C -3.143730 -1.770346 -0.250904
C -2.870390 -0.232456 -0.130439
C -1.380451 -0.158488 0.039120
C -1.819449 -2.364702 -0.829191
C -0.344400 0.719708 0.422713
C 0.553635 -1.303357 -0.292464
C 0.876533 -0.017591 0.214668
C -0.482427 2.131598 0.911266
C 1.522440 -2.342042 -0.633978
C 2.276577 0.330125 0.461468
C 2.965057 -1.960130 -0.476853
C 3.282563 -0.712278 0.009554
C -4.736854 -2.931960 1.285272
C -3.616560 1.732199 -1.424117
C 3.994450 -2.987494 -0.869707
C -4.941417 -3.499731 2.684081
C -3.993186 2.215812 -2.803624
C 1.045854 4.024098 0.657420
C 5.131653 0.865542 -0.301557
C 6.360416 1.283148 0.459750
H -4.008544 -1.953097 -0.909387
H -3.454320 0.254135 0.665741
H -1.834684 -2.404389 -1.932128
H -1.589277 -3.369342 -0.444426
H -2.791122 -2.340360 1.797533
H -1.531176 2.470234 0.866003
H -0.095904 2.263278 1.939139
H 5.015596 -2.613969 -0.704771
H 3.847780 -3.918916 -0.293253
H 3.872073 -3.265463 -1.932517
H -5.808546 -3.001708 3.150822
H -5.187752 -4.572422 2.604294
H -4.064645 -3.382126 3.343885
H -4.601662 1.464531 -3.331501
H -4.538203 3.167671 -2.725158
H -3.074495 2.381508 -3.395449
H 2.063997 4.168200 -1.152331
H 2.506137 5.357216 0.074762
H 6.041578 1.738973 1.414600
H 6.932445 2.021392 -0.120701
H 6.987488 0.409690 0.700944


