%chk=000030448.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000030448

0 1
 O    2.754000      -1.134700      0.4481000    
 O   -4.120500      0.6585000     -2.4900001E-02
 O   -3.589800      -1.470600     -9.0499997E-02
 N    3.107200     -6.0000003E-04 -0.4054000    
 N   -3.265300     -0.2596000     -4.1000001E-02
 C   0.8226000      0.7668000      5.2499998E-02
 C   0.4360000     -0.5875000      2.1500001E-02
 C    2.294300       1.111300      0.1095000    
 C    1.501500      -1.654200     -1.7500000E-02
 C  -0.1540000       1.767100      8.2800001E-02
 C  -0.9205000     -0.9224000     -2.0000000E-02
 C   -1.887700      8.2699999E-02 -2.6000000E-03
 C   -1.505600       1.423400      5.2200001E-02
 C    4.527900      0.2197000     -0.1646000    
 H    2.478400       1.998900     -0.5074000    
 H    2.552800       1.351300       1.149100    
 H    1.229500      -2.479200      0.6491000    
 H    1.619500      -2.048000      -1.033900    
 H   0.1319000       2.814600      0.1275000    
 H   -1.193000      -1.974300     -6.3800000E-02
 H   -2.235100       2.229300      7.1699999E-02
 H    4.877300       1.099900     -0.7147000    
 H    5.106800     -0.6367000     -0.5267000    
 H    4.756100      0.3616000      0.8980000    


%chk=000030448-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000030448

0 1
O 2.783998 -1.172098 0.499449
O -4.196755 0.689482 -0.023016
O -3.637998 -1.520050 -0.115498
N 3.136757 0.013383 -0.401528
N -3.328293 -0.266799 -0.052618
C 0.830225 0.767879 0.069504
C 0.440152 -0.598548 0.005359
C 2.305504 1.135974 0.117987
C 1.509518 -1.681800 -0.015535
C -0.161552 1.779381 0.103969
C -0.928547 -0.933749 -0.039737
C -1.890974 0.095590 -0.008860
C -1.530387 1.458590 0.065803
C 4.582933 0.219124 -0.169560
H 2.497901 2.014196 -0.527575
H 2.589216 1.409338 1.162682
H 1.249853 -2.516769 0.659280
H 1.648900 -2.071224 -1.043879
H 0.144745 2.830688 0.154828
H -1.266565 -1.973399 -0.091952
H -2.310891 2.222721 0.088273
H 4.905695 1.079119 -0.782798
H 5.123166 -0.679821 -0.502743
H 4.827698 0.416092 0.897164


