%chk=000100445.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000100445

0 1
 O   -5.814200      0.2147000     -0.5370000    
 O   -4.471400       1.307000      0.9575000    
 N   0.6135000      -2.528800     -0.9895000    
 N    1.689200     -0.7807000      0.9596000    
 N   -1.829200      0.3107000      0.8960000    
 N   -3.659300     -0.4143000     -0.4110000    
 N   1.7700000E-02   1.046800       2.183000    
 C    3.886700      -1.767500      0.8378000    
 C    2.428300      -1.723600      0.4617000    
 C    1.911600      -2.830300     -0.4318000    
 C    4.734300      -1.076400     -0.2212000    
 C  -0.2006000      -1.601600     -0.3637000    
 C   0.3325000     -0.7477000      0.6065000    
 C    4.386900      0.3811000     -0.4042000    
 C   -1.546900      -1.473400     -0.7087000    
 C  -0.5189000      0.1780000       1.198700    
 C   -2.309400     -0.5183000     -5.4699998E-02
 C    3.420200      0.7383000      -1.331000    
 C    5.041300       1.336400      0.3575000    
 C    3.099600       2.085200      -1.500400    
 C    4.720600       2.683300      0.1882000    
 C    3.749800       3.057700     -0.7408000    
 C   -4.621300      0.4532000      9.2100002E-02
 C   -6.916200       1.032700     -0.1268000    
 C   -8.144900      0.6374000     -0.9176000    
 H    4.017800      -1.284500       1.813500    
 H    4.194700      -2.813200      0.9448000    
 H    2.623400      -3.005200      -1.244000    
 H    1.851300      -3.744800      0.1682000    
 H    4.635700      -1.592600      -1.185000    
 H    5.794200      -1.166300      4.9300000E-02
 H   0.2107000      -3.160800      -1.671000    
 H   -1.980900      -2.116100      -1.469900    
 H    2.911500     -8.6000003E-03  -1.933800    
 H    5.797000       1.054500       1.085000    
 H    2.344200       2.376500      -2.224400    
 H    5.226200       3.440500      0.7801000    
 H   -3.982000      -1.055900      -1.131500    
 H   0.8158000      0.7289000       2.719000    
 H  -0.6183000       1.708700       2.609800    
 H    3.500000       4.106400     -0.8726000    
 H   -7.101300      0.8855000      0.9430000    
 H   -6.678300       2.085700     -0.3143000    
 H   -9.007800       1.244000     -0.6289000    
 H   -7.968700      0.7615000      -1.991200    
 H   -8.384600     -0.4187000     -0.7550000    


%chk=000100445-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000100445

0 1
O -5.965952 0.178818 -0.584965
O -4.802979 1.168788 1.212287
N 0.626401 -2.332404 -1.012120
N 1.566471 -0.823955 1.175738
N -2.021671 0.183964 1.143032
N -3.798827 -0.357503 -0.342698
N -0.266623 0.758550 2.585583
C 3.858386 -1.663587 0.917687
C 2.381812 -1.680438 0.602265
C 1.877113 -2.767375 -0.362446
C 4.756565 -1.127829 -0.253258
C -0.286668 -1.538050 -0.323789
C 0.201701 -0.819465 0.809194
C 4.589479 0.361695 -0.513142
C -1.636014 -1.375704 -0.721102
C -0.708693 0.036151 1.504781
C -2.448167 -0.504544 0.057776
C 3.538768 0.851404 -1.331386
C 5.473360 1.298039 0.082454
C 3.373927 2.237811 -1.546530
C 5.312860 2.686265 -0.129291
C 4.260864 3.161232 -0.945938
C -4.814233 0.413231 0.221742
C -7.183363 0.917533 -0.158499
C -8.298127 0.523632 -1.123469
H 4.015491 -1.037208 1.812789
H 4.195727 -2.695068 1.156134
H 2.640360 -2.973243 -1.136139
H 1.739056 -3.715289 0.214393
H 4.534425 -1.704711 -1.172678
H 5.809019 -1.346265 0.009532
H 0.310465 -2.836976 -1.839839
H -2.041095 -1.908418 -1.588769
H 2.840495 0.144975 -1.797757
H 6.294858 0.935907 0.714042
H 2.553652 2.597138 -2.178209
H 6.007605 3.394224 0.337221
H -4.092761 -0.887657 -1.165234
H 0.722020 0.710900 2.826612
H -0.910287 1.397992 3.044374
H 4.133705 4.236834 -1.112613
H -7.416006 0.643101 0.886774
H -6.967279 2.001406 -0.186704
H -9.232211 1.047691 -0.850207
H -8.037188 0.797084 -2.160401
H -8.485939 -0.563277 -1.085926


