%chk=000056867.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000056867

0 1
 O   -2.951000      -1.960100      8.7000001E-03
 O   -1.276400      -1.565000      -1.532900    
 O    2.999400       2.048400      0.5734000    
 N   0.9314000      0.2995000       1.054200    
 C   -1.883100      0.1358000      8.3300002E-02
 C   -1.453500     -0.1047000       1.553300    
 C  -0.7803000      0.9799000     -0.6055000    
 C  -1.6100001E-02 -0.6198000       1.691300    
 C   0.6369000      0.4407000     -0.3745000    
 C   -3.253000      0.8186000     -6.6500001E-02
 C   -1.978100      -1.217800     -0.5925000    
 C    2.305300     -0.1620000       1.251400    
 C   -3.975000       1.178500       1.068200    
 C   -3.764500       1.072800      -1.336400    
 C    3.260400      0.8492000      0.6438000    
 C   -5.217700       1.797500      0.9320000    
 C   -5.007000       1.691900      -1.472400    
 C   -5.733600       2.054100     -0.3383000    
 C   -3.149000      -3.269500     -0.5339000    
 C    4.567600      0.3611000      0.1117000    
 C   -4.254000      -3.960500      0.2363000    
 C    5.143300     -0.7447000      0.6934000    
 C    5.144000       1.036100     -0.9394000    
 C    6.364200      -1.200900      0.1963000    
 C    6.364800      0.5797000      -1.436400    
 C    6.974800     -0.5388000     -0.8686000    
 H   -1.499000      0.8403000       2.112800    
 H   -2.123200     -0.8066000       2.066400    
 H  -0.9463000       1.046500      -1.688500    
 H  -0.8270000       2.011700     -0.2284000    
 H   0.2116000     -0.6986000       2.761600    
 H   6.5800004E-02  -1.630700       1.271500    
 H   0.7852000     -0.5122000     -0.8953000    
 H    1.304900       1.154400     -0.8671000    
 H    2.537800     -0.2278000       2.320500    
 H    2.445700      -1.147100      0.7914000    
 H   -3.630000      0.9943000       2.078700    
 H   -3.219300      0.7937000      -2.233500    
 H   -5.785500       2.077500       1.814600    
 H   -5.409700       1.890100      -2.461400    
 H   -6.701600       2.535100     -0.4442000    
 H   -2.220700      -3.844800     -0.4464000    
 H   -3.428800      -3.188000      -1.590200    
 H   -5.184300      -3.386300      0.1735000    
 H   -3.996300      -4.032600       1.298100    
 H   -4.432600      -4.966600     -0.1533000    
 H    4.698300      -1.266500       1.534300    
 H    4.677300       1.904400      -1.394400    
 H    6.841600      -2.069300      0.6409000    
 H    6.839900       1.094500      -2.266500    
 H    7.925700     -0.8936000      -1.255200    


%chk=000056867-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000056867

0 1
O -2.856106 -2.113317 0.171342
O -2.287995 -1.421277 -1.969666
O 2.995934 1.832088 -0.523617
N 0.870567 0.186009 0.398843
C -2.076825 0.186814 -0.071378
C -1.431351 -0.008603 1.326771
C -1.069086 0.985709 -0.955491
C -0.034009 -0.647709 1.226830
C 0.336018 0.356323 -0.977497
C -3.438338 0.930677 -0.017103
C -2.381539 -1.173685 -0.743554
C 2.250369 -0.303908 0.431084
C -4.011748 1.379763 1.198265
C -4.138244 1.183874 -1.228024
C 3.308968 0.696937 -0.066559
C -5.243458 2.074464 1.203946
C -5.369107 1.872845 -1.223663
C -5.927709 2.325780 -0.005623
C -3.309925 -3.418374 -0.404082
C 4.753740 0.271781 0.006528
C -3.804173 -4.265034 0.763837
C 5.163317 -1.005114 0.480322
C 5.744794 1.201771 -0.411101
C 6.532950 -1.340457 0.535471
C 7.111765 0.866783 -0.355327
C 7.510334 -0.406784 0.118403
H -1.316045 0.986051 1.796700
H -2.074568 -0.633706 1.969747
H -1.443927 1.054983 -1.990862
H -0.999110 2.009425 -0.544333
H 0.396773 -0.732894 2.242598
H -0.128091 -1.690158 0.820274
H 0.297211 -0.626280 -1.514725
H 1.016406 1.022717 -1.530982
H 2.509179 -0.560396 1.478375
H 2.387677 -1.252457 -0.159071
H -3.506433 1.191944 2.149783
H -3.723042 0.827780 -2.178267
H -5.667058 2.417292 2.154996
H -5.892051 2.055800 -2.169259
H -6.882146 2.864074 -0.000471
H -2.458067 -3.879209 -0.936207
H -4.103930 -3.208766 -1.143537
H -4.638638 -3.765744 1.285044
H -2.995486 -4.444667 1.493057
H -4.161065 -5.243150 0.392486
H 4.422635 -1.743820 0.804176
H 5.410416 2.180053 -0.772404
H 6.839463 -2.326873 0.900504
H 7.866749 1.591871 -0.678299
H 8.573307 -0.669427 0.161623


