%chk=000019334.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000019334

0 1
 O    1.540100      0.1233000     -0.1949000    
 O   9.0599999E-02   1.617200      0.7880000    
 O   -5.964300       2.050200     -8.0200002E-02
 N    5.095900      0.8480000      0.4511000    
 C  -0.7805000     -0.1980000     -0.5983000    
 C    3.928900      0.1409000     -7.5599998E-02
 C    2.644200      0.8323000      0.3519000    
 C    5.375100       2.039900     -0.3490000    
 C    6.260900     -3.5599999E-02  0.4758000    
 C   -2.172800      0.4046000     -0.4600000    
 C  -0.7605000      -1.676400     -0.2334000    
 C   0.2971000      0.6247000      0.1011000    
 C    6.547400       2.820900      0.2202000    
 C    6.638300     -0.4858000     -0.9252000    
 C   -2.826100      0.9173000      -1.580700    
 C   -2.793500      0.4451000      0.7886000    
 C   -1.185600      -2.629200      -1.159400    
 C  -0.3168000      -2.078100       1.026600    
 C   -4.100200       1.470400      -1.453100    
 C   -4.067700      0.9982000      0.9163000    
 C   -4.720900       1.510900     -0.2046000    
 C   -1.167200      -3.983400     -0.8254000    
 C  -0.2983000      -3.432300       1.360500    
 C  -0.7236000      -4.384900      0.4345000    
 C   -6.540400       2.059600       1.225100    
 H  -0.5016000     -0.1312000      -1.661800    
 H    3.941800      4.6399999E-02  -1.169300    
 H    3.883500     -0.8857000      0.3134000    
 H    2.600000       1.863700     -1.2100000E-02
 H    2.565000      0.8381000       1.446100    
 H    5.527700       1.838500      -1.415300    
 H    4.516500       2.718900     -0.2993000    
 H    7.117700      0.4261000      0.9778000    
 H    6.032900     -0.9186000       1.087000    
 H    6.587300       3.812500     -0.2447000    
 H    7.510100       2.341700      1.8200001E-02
 H    6.446900       2.973100       1.300400    
 H    5.834500      -1.008800      -1.450500    
 H    7.009800      0.3256000      -1.557100    
 H    7.463400      -1.204500     -0.8476000    
 H   -2.356300      0.8936000      -2.560200    
 H   -2.299200      5.8300000E-02   1.675200    
 H   -1.533800      -2.329500      -2.144300    
 H   7.1000000E-03  -1.359100       1.773700    
 H   -4.604200       1.868100      -2.329600    
 H   -4.490900      0.9991000       1.915000    
 H   -1.498600      -4.725100      -1.546200    
 H   4.4000000E-02  -3.745100       2.342700    
 H  -0.7100000      -5.439200      0.6949000    
 H   -6.696400       1.043600       1.603400    
 H   -5.957200       2.675600       1.917900    
 H   -7.528400       2.523700       1.139000    


%chk=000019334-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000019334

0 1
O 1.663745 -0.419015 -0.186136
O 0.538705 -0.326087 1.848011
O -4.767703 2.798496 -0.671140
N 5.090214 1.096384 -0.082130
C -0.611429 -1.194442 -0.188150
C 3.890493 0.433059 -0.645125
C 2.871666 0.171120 0.472432
C 4.956650 2.573634 -0.010214
C 6.379136 0.591852 -0.616570
C -1.739126 -0.148140 -0.270898
C -1.090642 -2.557255 0.340054
C 0.550718 -0.617266 0.629258
C 5.991900 3.236031 0.917297
C 6.689215 0.932105 -2.100751
C -1.965143 0.548238 -1.486524
C -2.552601 0.159396 0.843978
C -1.571835 -3.504812 -0.600049
C -1.107083 -2.893738 1.717604
C -2.977862 1.519469 -1.591313
C -3.571676 1.133135 0.758188
C -3.785880 1.815219 -0.465920
C -2.063663 -4.759092 -0.178093
C -1.595974 -4.151385 2.139632
C -2.077726 -5.087910 1.197373
C -5.626783 3.141091 0.464347
H -0.221789 -1.343818 -1.209721
H 3.402282 1.027032 -1.452294
H 4.181340 -0.534643 -1.092677
H 2.572881 1.094528 0.999412
H 3.262361 -0.544271 1.215983
H 5.005619 3.048559 -1.022820
H 3.945424 2.793102 0.381825
H 7.193853 0.976898 0.023993
H 6.381087 -0.507354 -0.487233
H 5.771677 4.314175 1.022774
H 7.020839 3.145163 0.525252
H 5.960612 2.770856 1.918358
H 5.903895 0.542982 -2.774987
H 6.768813 2.022615 -2.261808
H 7.650798 0.476676 -2.402734
H -1.340109 0.329679 -2.360927
H -2.390193 -0.361593 1.792857
H -1.566262 -3.255325 -1.668509
H -0.723998 -2.178891 2.453424
H -3.160555 2.058099 -2.526035
H -4.183432 1.347580 1.639509
H -2.430885 -5.478031 -0.919343
H -1.597821 -4.399147 3.207341
H -2.455708 -6.061823 1.528287
H -6.212012 2.265172 0.806398
H -5.035952 3.544560 1.309814
H -6.308379 3.916732 0.085298


