%chk=000052922.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000052922

0 1
 O  -6.6000000E-02   1.274000     -0.2744000    
 O    1.511900       1.740000       1.337800    
 N   -3.054000       3.427800     -9.1300003E-02
 C    1.431500      -1.393100      0.3350000    
 C   8.5900001E-02  -1.874200     -0.2229000    
 C    1.888500     -5.3399999E-02 -0.2819000    
 C  -0.3349000      -3.246900      0.3137000    
 C   -1.636200      -3.763200     -0.3062000    
 C   -2.064100      -5.130600      0.2365000    
 C    3.391000      0.1763000     -0.2216000    
 C    1.123100       1.090600      0.3757000    
 C   -3.377000      -5.636600     -0.3622000    
 C   -2.168300       2.386800     -0.5908000    
 C  -0.8970000       2.319300      0.2402000    
 C    4.126000     -0.2968000      0.8655000    
 C    4.033900      0.8605000      -1.253400    
 C   -4.010000       3.834700      -1.124200    
 C   -3.766300       2.972100       1.105000    
 C   -3.722200      -7.025600      0.1527000    
 C    5.503700     -8.5800000E-02  0.9207000    
 C    5.411600       1.071300      -1.198200    
 C    6.146400      0.5983000     -0.1112000    
 C   -4.914800       2.680200      -1.520200    
 C   -4.642300       4.074500       1.675600    
 H    2.174500      -2.172100      0.1195000    
 H    1.355900      -1.312300       1.426900    
 H   0.1459000      -1.923900      -1.317100    
 H  -0.7019000      -1.154000      2.2299999E-02
 H    1.625400     -6.1200000E-02  -1.349400    
 H  -0.4491000      -3.187200       1.402900    
 H   0.4650000      -3.971600      0.1178000    
 H   -1.516700      -3.829400      -1.394500    
 H   -2.436200      -3.036400     -0.1187000    
 H   -1.268100      -5.857700      3.2699998E-02
 H   -2.164900      -5.069800       1.327200    
 H   -3.298700      -5.667900      -1.455000    
 H   -4.189200      -4.943700     -0.1141000    
 H   -1.861400       2.592700      -1.625500    
 H   -2.638000       1.394500     -0.6120000    
 H   -1.110200       2.093600       1.289900    
 H  -0.3546000       3.271100      0.1819000    
 H    3.651500     -0.8185000       1.691200    
 H    3.473200       1.236900      -2.104700    
 H   -4.601800       4.704100     -0.8187000    
 H   -3.459900       4.179200      -2.009600    
 H   -4.346500       2.054200      0.9580000    
 H   -3.039500       2.736200       1.890400    
 H   -4.665000      -7.368200     -0.2851000    
 H   -3.834100      -7.023600       1.241700    
 H   -2.942900      -7.747500     -0.1119000    
 H    6.075800     -0.4507000       1.768800    
 H    5.912100       1.604900      -2.001000    
 H    7.219000      0.7636000     -6.7500003E-02
 H   -4.373200       1.802700      -1.883700    
 H   -5.600100       2.373400     -0.7253000    
 H   -5.550600       3.007300      -2.352100    
 H   -4.097500       5.020900       1.763100    
 H   -5.548200       4.240700       1.085000    
 H   -4.972100       3.795800       2.682900    


%chk=000052922-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000052922

0 1
O -0.310578 1.359707 -0.319875
O 0.363223 0.419945 1.700868
N -2.958203 3.987109 0.049867
C 1.289522 -1.878728 0.035283
C -0.099441 -2.528507 -0.143612
C 1.340819 -0.394685 -0.431017
C -0.124254 -4.014420 0.279486
C -1.508199 -4.674816 0.089129
C -1.542270 -6.161206 0.510325
C 2.772618 0.158973 -0.409090
C 0.435754 0.469088 0.450039
C -2.926243 -6.820788 0.312525
C -2.001772 3.076099 -0.623573
C -1.182779 2.316710 0.429052
C 3.463950 0.351121 0.815477
C 3.437794 0.454097 -1.625018
C -3.088506 5.320273 -0.589661
C -4.237681 3.322615 0.408552
C -2.952014 -8.305749 0.734856
C 4.794042 0.824993 0.818767
C 4.770667 0.924785 -1.622740
C 5.454034 1.111480 -0.399447
C -3.786582 5.350086 -1.977623
C -5.067513 4.112336 1.437384
H 2.046185 -2.444172 -0.543124
H 1.590190 -1.927518 1.099502
H -0.413042 -2.444955 -1.205616
H -0.849413 -1.970475 0.453384
H 0.954764 -0.325381 -1.464163
H 0.178520 -4.096568 1.343974
H 0.634157 -4.576866 -0.304597
H -1.810924 -4.589148 -0.975820
H -2.265437 -4.111157 0.673446
H -0.782530 -6.725815 -0.070120
H -1.245453 -6.248336 1.576609
H -3.222158 -6.732631 -0.752923
H -3.684348 -6.256232 0.893076
H -1.310574 3.668024 -1.250410
H -2.500303 2.342924 -1.299417
H -1.819010 1.748182 1.130471
H -0.545281 3.000896 1.014690
H 2.951746 0.144574 1.762409
H 2.909526 0.316358 -2.576496
H -3.631491 5.985850 0.106342
H -2.069251 5.740866 -0.684325
H -4.865339 3.111716 -0.494027
H -3.985360 2.337389 0.844350
H -3.951608 -8.754136 0.585657
H -2.687162 -8.417920 1.803419
H -2.224762 -8.897192 0.146815
H 5.315535 0.973496 1.771247
H 5.271944 1.147859 -2.571524
H 6.486538 1.478645 -0.394975
H -3.257138 4.710412 -2.707823
H -4.833776 5.002464 -1.914544
H -3.798224 6.381491 -2.376652
H -4.455096 4.340444 2.327496
H -5.445882 5.064844 1.024586
H -5.943631 3.517847 1.755330


