%chk=000043481.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000043481

0 1
 O   -3.796600      -1.728500     -0.2695000    
 O   -2.147000      -1.354200      -1.843100    
 O    4.339200      -1.962700      0.8127000    
 N   0.4495000     -0.3126000      0.8433000    
 C   -2.391800      0.1315000      5.5700000E-02
 C   -1.945800     -0.4123000       1.437200    
 C   -1.194200      0.8929000     -0.5683000    
 C  -0.6098000      -1.163100       1.393800    
 C   0.1217000      0.1064000     -0.5222000    
 C   -3.633900       1.037000      0.1088000    
 C    1.734400      -1.011000      0.8710000    
 C   -2.740100      -1.060300     -0.8140000    
 C    2.868400     -9.5700003E-02  0.4095000    
 C   -4.149700       1.574200      -1.067700    
 C   -4.236600       1.314700       1.332800    
 C   -5.276400       2.395300      -1.019700    
 C   -5.363300       2.135700       1.380700    
 C    4.219900     -0.7935000      0.4536000    
 C   -5.883100       2.675900      0.2043000    
 C   -4.233200      -2.883000     -0.9940000    
 C    5.435700     -2.8400000E-02  4.7300000E-02
 C   -5.403900      -3.508300     -0.2659000    
 C    5.287700       1.280100     -0.3519000    
 C    6.656800     -0.6613000      8.8399999E-02
 C    6.423600       1.995100     -0.7312000    
 C    7.792700      5.3900000E-02 -0.2909000    
 C    7.676000       1.382200     -0.7007000    
 H   -2.700600      -1.074600       1.880100    
 H   -1.809100      0.4230000       2.138600    
 H   -1.053200       1.842500     -3.1900000E-02
 H   -1.392800       1.163500      -1.613400    
 H  -0.3545000      -1.452100       2.421000    
 H  -0.7154000      -2.091100      0.8171000    
 H   0.1026000     -0.7492000      -1.206000    
 H   0.8664000      0.8054000     -0.9136000    
 H    1.706000      -1.918200      0.2521000    
 H    1.951100      -1.336300       1.896900    
 H    2.730500      0.1990000     -0.6343000    
 H    2.903100      0.7893000       1.055000    
 H   -3.697700       1.364100      -2.032800    
 H   -3.884100      0.9146000       2.276200    
 H   -5.682400       2.814600      -1.935600    
 H   -5.838100       2.352600       2.333200    
 H   -6.761000       3.314200      0.2416000    
 H   -3.410800      -3.603900      -1.061200    
 H   -4.540300      -2.585800      -2.002900    
 H   -5.764200      -4.395800     -0.7937000    
 H   -5.116600      -3.793700      0.7515000    
 H   -6.227300      -2.792200     -0.1744000    
 H    4.336300       1.797500     -0.3918000    
 H    6.769600      -1.693800      0.4041000    
 H    6.333600       3.029500      -1.050500    
 H    8.768200     -0.4231000     -0.2673000    
 H    8.560500       1.939000     -0.9961000    


%chk=000043481-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000043481

0 1
O -3.642701 -1.936960 -0.156063
O -2.885910 -1.014145 -2.146457
O 4.288860 -2.024980 0.865338
N 0.388527 -0.343756 0.529273
C -2.502241 0.216040 -0.009614
C -1.965353 -0.294921 1.354542
C -1.336462 0.955706 -0.735879
C -0.683547 -1.131952 1.188932
C -0.055453 0.102906 -0.816772
C -3.723928 1.164452 0.130376
C 1.672401 -1.087884 0.496608
C -2.990789 -0.954558 -0.897438
C 2.864234 -0.164003 0.191490
C -4.311495 1.717605 -1.039780
C -4.275406 1.511537 1.388737
C -5.408412 2.600224 -0.952884
C -5.372837 2.398841 1.477729
C 4.217600 -0.836157 0.431294
C -5.943448 2.949501 0.309100
C -4.260753 -3.052045 -0.940767
C 5.471520 -0.052669 0.146884
C -4.914257 -3.989665 0.068559
C 5.445077 1.297236 -0.297055
C 6.726390 -0.693815 0.336059
C 6.649160 1.989885 -0.546664
C 7.927924 -0.002943 0.085383
C 7.892270 1.341984 -0.357299
H -2.731842 -0.897025 1.871927
H -1.720915 0.583502 1.981043
H -1.124242 1.882022 -0.170259
H -1.643965 1.237207 -1.757539
H -0.320703 -1.444557 2.185535
H -0.918705 -2.068068 0.616732
H -0.231711 -0.771446 -1.494637
H 0.743779 0.712977 -1.275042
H 1.653449 -1.931566 -0.237503
H 1.832582 -1.545707 1.489086
H 2.834746 0.202252 -0.853948
H 2.783386 0.737410 0.832993
H -3.917040 1.443316 -2.025362
H -3.857789 1.092911 2.308708
H -5.846668 3.013332 -1.868515
H -5.781889 2.656548 2.461449
H -6.794357 3.636370 0.379009
H -3.465965 -3.545006 -1.529295
H -4.988159 -2.611371 -1.646371
H -5.394402 -4.832853 -0.460976
H -4.166480 -4.400337 0.768505
H -5.686605 -3.461566 0.653273
H 4.490182 1.812163 -0.444835
H 6.724922 -1.733356 0.680800
H 6.620954 3.030850 -0.886810
H 8.890193 -0.505328 0.232896
H 8.826275 1.880864 -0.552599


