%chk=000019766.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000019766

0 1
 O   -7.372100      -1.614700     -0.1408000    
 N   -8.603100      0.3507000     -0.1666000    
 C    1.507700      0.3339000      0.3374000    
 C    2.800500     -0.4828000      0.2342000    
 C   0.2044000     -0.4612000      0.2088000    
 C    4.065800      0.3770000      0.2801000    
 C   -1.051100      0.4130000      0.2577000    
 C    5.354900     -0.4309000      9.8700002E-02
 C   -2.319200     -0.4328000      0.1146000    
 C    6.650300      0.3860000      4.8700001E-02
 C   -3.606900      0.3959000      0.1330000    
 C    7.945800     -0.4232000     -6.3800000E-02
 C   -4.876000     -0.4500000      1.4000000E-02
 C    9.201700      0.4449000     -0.1602000    
 C   -6.126500      0.4312000     -3.5000000E-02
 C    10.46140     -0.4165000     -0.2605000    
 C   -7.412100     -0.3817000     -0.1179000    
 C    11.71140      0.4383000     -0.3952000    
 C   -9.910700     -0.2883000     -0.2492000    
 C   -8.626200       1.811300     -0.1381000    
 H    1.503400      0.8669000       1.296600    
 H    1.520300       1.104900     -0.4437000    
 H    2.828700      -1.217700       1.047700    
 H    2.786100      -1.050000     -0.7047000    
 H   0.1624000      -1.206400       1.012700    
 H   0.2204000      -1.016800     -0.7370000    
 H    4.107300      0.9140000       1.235400    
 H    4.011800       1.137500     -0.5085000    
 H   -1.012800       1.156100     -0.5476000    
 H   -1.080200      0.9632000       1.205700    
 H    5.280200      -1.015400     -0.8270000    
 H    5.429500      -1.157900      0.9173000    
 H   -2.273400     -0.9993000     -0.8238000    
 H   -2.355700      -1.168900      0.9274000    
 H    6.705100       1.008800      0.9506000    
 H    6.590700       1.078300     -0.8006000    
 H   -3.646800      0.9775000       1.062400    
 H   -3.574400       1.119000     -0.6915000    
 H    7.884300      -1.069100     -0.9484000    
 H    8.026700      -1.086200      0.8064000    
 H   -4.824700      -1.066900     -0.8917000    
 H   -4.937000      -1.140000      0.8646000    
 H    9.128300       1.096800      -1.039000    
 H    9.267900       1.094900      0.7205000    
 H   -6.065100       1.081600     -0.9148000    
 H   -6.160000       1.044600      0.8726000    
 H    10.38890      -1.083700      -1.127300    
 H    10.55140      -1.049700      0.6299000    
 H    11.83110       1.097100      0.4708000    
 H    12.59970     -0.1973000     -0.4640000    
 H    11.66720       1.058900      -1.295900    
 H   -10.50410      5.1000002E-03  0.6214000    
 H   -9.815800      -1.377000     -0.2666000    
 H   -10.40910      4.1700002E-02  -1.165100    
 H   -9.118200       2.164000      -1.050000    
 H   -7.648300       2.284900     -7.5000003E-02
 H   -9.215300       2.127900      0.7284000    


%chk=000019766-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000019766

0 1
O -7.435832 -1.622492 -0.096872
N -8.702389 0.321851 0.036008
C 1.532486 0.436350 -0.005050
C 2.817005 -0.422732 -0.021294
C 0.234161 -0.401750 -0.017245
C 4.115403 0.415248 -0.009580
C -1.050547 0.456937 0.002203
C 5.399960 -0.443779 -0.024385
C -2.347827 -0.382347 -0.013229
C 6.698247 0.394454 -0.011687
C -3.633488 0.474864 0.013233
C 7.983140 -0.464307 -0.026279
C -4.923070 -0.374501 -0.011708
C 9.281303 0.374106 -0.012024
C -6.196211 0.494065 0.027150
C 10.566391 -0.485172 -0.027836
C -7.480201 -0.353272 -0.016068
C 11.857921 0.361097 -0.012107
C -9.952637 -0.455464 -0.001247
C -8.865154 1.778159 0.128419
H 1.539302 1.087931 0.894001
H 1.536739 1.117813 -0.881666
H 2.812870 -1.103779 0.855533
H 2.810039 -1.074797 -0.919900
H 0.230969 -1.084705 0.858038
H 0.226329 -1.051893 -0.917168
H 4.121817 1.067859 0.888696
H 4.119902 1.095755 -0.886915
H -1.046249 1.141621 -0.872001
H -1.043657 1.105141 0.903805
H 5.393997 -1.096114 -0.922826
H 5.395179 -1.124582 0.852663
H -2.357240 -1.027086 -0.916679
H -2.350080 -1.070580 0.857582
H 6.704087 1.046709 0.886841
H 6.703014 1.075373 -0.888684
H -3.624749 1.114956 0.921247
H -3.626440 1.167557 -0.855301
H 7.977921 -1.115898 -0.925325
H 7.977915 -1.145863 0.850239
H -4.943374 -1.009461 -0.917023
H -4.934195 -1.074349 0.844825
H 9.287662 1.056350 -0.888033
H 9.288419 1.025041 0.887499
H -6.188132 1.200572 -0.828611
H -6.190532 1.117791 0.944768
H 10.558497 -1.134426 -0.927272
H 10.558547 -1.167243 0.846940
H 11.904101 0.995620 0.893260
H 12.761796 -0.275621 -0.025187
H 11.902877 1.030586 -0.891987
H -10.547355 -0.283593 0.917168
H -9.690468 -1.521805 -0.072977
H -10.566255 -0.167737 -0.877282
H -9.438805 2.162074 -0.739042
H -7.893322 2.289720 0.149507
H -9.419289 2.051247 1.048968


