%chk=000019572.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000019572

0 1
 O   -1.815800      0.3361000      0.8625000    
 O    4.377600     -0.3976000      0.4129000    
 O   -1.808700      -1.965000      0.8018000    
 N   -5.284200      0.3631000     -0.3923000    
 N    2.906800       1.568300       1.795700    
 C   -3.829800      0.3769000     -0.4422000    
 C   -5.804700       1.695900     -7.8199998E-02
 C   -5.841900     -0.1109000      -1.661400    
 C   -3.244200      0.3385000      0.9602000    
 C   -7.319000       1.679000      4.4500001E-02
 C   -5.316400      -1.493200      -2.009800    
 C    6.248100     -0.1744000      -1.065100    
 C    4.979500     -0.9534000     -0.7480000    
 C    5.955700       1.303300      -1.309500    
 C   0.2420000     -0.7535000      0.6946000    
 C    3.014500     -0.5023000      0.5134000    
 C   -1.203200     -0.8850000      0.7886000    
 C    2.270000      0.4612000       1.194000    
 C   0.8837000      0.3355000       1.284400    
 C   0.9868000      -1.716900      1.3900000E-02
 C    2.372900      -1.591300     -7.6600000E-02
 C    7.230200       2.085600      -1.583300    
 H   -3.444400       1.243300     -0.9972000    
 H   -3.401800     -0.4882000     -0.9539000    
 H   -5.411300       2.038600      0.8847000    
 H   -5.507300       2.437600     -0.8305000    
 H   -6.928700     -0.2186000      -1.584900    
 H   -5.632700      0.5817000      -2.486400    
 H   -3.505800       1.233300       1.532700    
 H   -3.604000     -0.5244000       1.534100    
 H   -7.658800       2.614900      0.5024000    
 H   -7.665600      0.8596000      0.6835000    
 H   -7.818000       1.609500     -0.9269000    
 H   -5.977300      -1.954400      -2.753200    
 H   -5.298600      -2.159600      -1.140300    
 H   -4.322900      -1.467300      -2.467200    
 H    6.738200     -0.6130000      -1.941800    
 H    6.942200     -0.2619000     -0.2200000    
 H    5.233700      -2.002200     -0.5569000    
 H    4.321900     -0.8922000      -1.625000    
 H    5.457500       1.747300     -0.4405000    
 H    5.275500       1.411700      -2.162300    
 H   0.3190000       1.088800       1.829400    
 H   0.5023000      -2.573300     -0.4481000    
 H    2.914200      -2.380400     -0.5898000    
 H    7.745500       1.698400      -2.468100    
 H    6.997000       3.140200      -1.760700    
 H    7.916700       2.028100     -0.7326000    
 H    3.911500       1.665600       1.731800    
 H    2.361000       2.263800       2.286400    


%chk=000019572-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000019572

0 1
O -1.985916 0.182620 0.799094
O 4.329487 0.146945 -0.052398
O -1.893849 -1.723849 -0.546784
N -5.614023 0.515784 -0.278816
N 2.773361 1.841062 1.293887
C -4.140425 0.664311 -0.374429
C -6.351246 1.802161 -0.182470
C -6.178871 -0.436569 -1.269488
C -3.469362 0.026982 0.859152
C -7.737095 1.664329 0.478314
C -5.699937 -1.885677 -1.056456
C 6.665286 -0.185336 -0.611645
C 5.254303 -0.757636 -0.765026
C 6.865373 1.171473 -1.324214
C 0.165599 -0.539886 0.018244
C 2.957160 -0.155967 -0.078048
C -1.300296 -0.777768 0.037483
C 2.147206 0.775717 0.654379
C 0.750352 0.565940 0.690783
C 0.980332 -1.450614 -0.697805
C 2.377165 -1.255761 -0.742697
C 8.290469 1.732584 -1.133725
H -3.851806 1.732628 -0.430962
H -3.746839 0.174394 -1.287179
H -5.739603 2.486410 0.435149
H -6.464563 2.291215 -1.184647
H -7.279522 -0.409891 -1.175554
H -5.936682 -0.117187 -2.316440
H -3.764968 0.544512 1.785190
H -3.722021 -1.044158 0.920874
H -8.203487 2.660144 0.597884
H -7.637559 1.196696 1.473640
H -8.426790 1.045404 -0.123065
H -6.162240 -2.551214 -1.809346
H -5.990299 -2.240444 -0.051264
H -4.603131 -1.980846 -1.152283
H 7.380223 -0.928652 -1.020117
H 6.894047 -0.082422 0.467275
H 5.177709 -1.770990 -0.320825
H 4.959601 -0.810918 -1.833855
H 6.120248 1.893720 -0.940390
H 6.654407 1.048908 -2.406173
H 0.104534 1.256287 1.241524
H 0.509782 -2.296081 -1.207705
H 3.001468 -1.963577 -1.295645
H 9.051388 1.037483 -1.536786
H 8.413157 2.702284 -1.649449
H 8.514915 1.889596 -0.061719
H 3.784113 1.925194 1.235755
H 2.237743 2.517458 1.827580


