%chk=000079564.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000079564

0 1
 O   -4.599900      0.8483000     -2.6000000E-03
 O   -4.354600      -1.333200      1.0000000E-03
 N   -3.872900     -0.1745000     -1.9999999E-04
 C    1.815000      0.4651000     -1.9999999E-04
 C    2.456500     -0.1265000      -1.267600    
 C    2.458500     -0.1219000       1.268400    
 C    3.973100      5.7700001E-02  -1.263700    
 C    3.975100      6.2199999E-02   1.261500    
 C    4.607100     -0.5175000     -6.0000003E-04
 C   0.3066000      0.2957000      6.9999998E-04
 C  -0.5175000       1.418500     -1.2000001E-03
 C  -0.2476000     -0.9823000      2.4999999E-03
 C   -1.903700       1.262600     -1.0000000E-03
 C   -1.633800      -1.138400      2.4999999E-03
 C   -2.462000     -1.5799999E-02  6.9999998E-04
 H    2.035400       1.542600     -2.3000001E-03
 H    2.035600      0.3522000      -2.160500    
 H    2.233500      -1.197500      -1.353600    
 H    2.235600      -1.192500       1.358600    
 H    2.039000      0.3600000       2.160200    
 H    4.211100       1.125900      -1.338200    
 H    4.405000     -0.4274000      -2.146400    
 H    4.408400     -0.4197000       2.145200    
 H    4.213300       1.130700       1.331800    
 H    4.490800      -1.608300      1.4000000E-03
 H    5.683300     -0.3111000     -1.8000000E-03
 H  -9.7700000E-02   2.420600     -2.9000000E-03
 H   0.3785000      -1.869900      3.8000001E-03
 H   -2.517700       2.159600     -2.6000000E-03
 H   -2.033300      -2.149300      3.8000001E-03


%chk=000079564-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000079564

0 1
O -4.691262 0.892782 -0.001100
O -4.438255 -1.373995 0.002991
N -3.959748 -0.173036 0.001433
C 1.832320 0.473180 -0.000903
C 2.487085 -0.135726 -1.277603
C 2.487837 -0.131792 1.277262
C 4.020694 0.064362 -1.276370
C 4.021449 0.068292 1.274532
C 4.667550 -0.523518 -0.000206
C 0.318570 0.302974 -0.000260
C -0.541036 1.433703 -0.002201
C -0.272046 -0.991936 0.002230
C -1.942253 1.292259 -0.001671
C -1.668043 -1.158946 0.002792
C -2.489181 -0.008912 0.000844
H 2.057219 1.560722 -0.002644
H 2.038282 0.321097 -2.180433
H 2.259817 -1.220608 -1.321910
H 2.260643 -1.216538 1.325063
H 2.039560 0.327800 2.178947
H 4.248246 1.148958 -1.334617
H 4.459281 -0.401887 -2.179507
H 4.460557 -0.395185 2.178841
H 4.249049 1.153057 1.329308
H 4.535954 -1.625499 0.001534
H 5.757556 -0.331152 -0.000826
H -0.103257 2.438384 -0.004142
H 0.368310 -1.880619 0.003758
H -2.611860 2.156290 -0.003143
H -2.132338 -2.148608 0.004699


