%chk=000074046.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000074046

0 1
 O   -2.110700     -0.9551000     -0.1586000    
 O    2.246900       1.015100     -4.8999999E-02
 O   -1.072000     -0.5474000      -2.166100    
 O    1.338400      0.5433000      -2.104900    
 N    1.722500      -4.276100       1.780900    
 N   -2.257600       4.118300       1.709300    
 C   6.4900003E-02  3.4800000E-02 -6.8000004E-02
 C   0.5639000      -1.120700      0.8553000    
 C  -0.4872000       1.190100      0.8268000    
 C   -1.081000     -0.5114000     -0.9420000    
 C    1.266400      0.5508000     -0.8823000    
 C    1.037000      -2.371600      0.1005000    
 C   -1.179300       2.348700      9.2500001E-02
 C   -3.237700      -1.491900     -0.8585000    
 C    3.422700       1.518500     -0.6911000    
 C    1.420000      -3.435400       1.040500    
 C   -1.777400       3.335200       1.000300    
 C   -4.278600      -1.933500      0.1481000    
 C    4.399000       1.988200      0.3662000    
 H    1.377900     -0.7642000       1.501300    
 H  -0.2425000      -1.414600       1.542300    
 H   0.3205000       1.603200       1.446200    
 H   -1.207600      0.7709000       1.544100    
 H    1.893500      -2.126400     -0.5368000    
 H   0.2455000      -2.752400     -0.5536000    
 H  -0.4536000       2.850700     -0.5576000    
 H   -1.969800       1.961400     -0.5598000    
 H   -2.918200      -2.349500      -1.460900    
 H   -3.660000     -0.7226000      -1.514400    
 H    3.151900       2.356400      -1.343100    
 H    3.880100      0.7233000      -1.290100    
 H   -3.864700      -2.689700      0.8234000    
 H   -4.594100      -1.089900      0.7710000    
 H   -5.156300      -2.350100     -0.3537000    
 H    3.948700       2.770900      0.9857000    
 H    4.664700       1.165200       1.037700    
 H    5.311700       2.380500     -9.0700001E-02


%chk=000074046-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000074046

0 1
O -2.038114 -1.215936 -0.286824
O 2.088584 1.235785 -0.175636
O -1.436656 0.461171 -1.779478
O 1.550210 -0.419434 -1.716393
N 1.323923 -4.449303 2.112848
N -1.394134 4.459529 2.074504
C 0.013603 0.011525 0.177008
C 0.333662 -1.205871 1.112731
C -0.350305 1.222120 1.105256
C -1.190729 -0.223048 -0.760989
C 1.260096 0.253093 -0.701698
C 0.643700 -2.541268 0.380457
C -0.618845 2.564086 0.368610
C -3.303244 -1.434769 -1.070444
C 3.389362 1.460027 -0.896586
C 1.020321 -3.598353 1.333002
C -1.046521 3.613473 1.307828
C -4.052300 -2.573860 -0.389850
C 4.118601 2.573019 -0.154081
H 1.194966 -0.924288 1.747342
H -0.533054 -1.359348 1.778696
H 0.481736 1.367994 1.815940
H -1.243265 0.938177 1.693463
H 1.457475 -2.413975 -0.356624
H -0.249791 -2.871328 -0.179102
H 0.304400 2.897667 -0.138166
H -1.390710 2.443560 -0.413319
H -3.019581 -1.666446 -2.112294
H -3.870733 -0.487040 -1.067655
H 3.154052 1.721861 -1.943344
H 3.946925 0.506449 -0.894058
H -3.455857 -3.502163 -0.393049
H -4.298843 -2.320220 0.655129
H -4.996451 -2.768957 -0.929975
H 3.530443 3.506591 -0.156559
H 4.318792 2.288692 0.892911
H 5.086182 2.773791 -0.648702


