%chk=000004402.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000004402

0 1
 O   -3.422600     -0.6347000     -0.9071000    
 O   -2.858900       2.010400       1.460700    
 O   -5.177700       1.650600      8.9299999E-02
 O   -4.770300      -3.056500     -0.4213000    
 N   -1.202400     -5.8400001E-02 -0.2986000    
 N    3.396400     -0.4439000     -0.3444000    
 N   0.5344000      -1.447500     -0.1274000    
 N  -2.4700001E-02   2.038700     -0.6400000    
 N    2.393300       1.708200     -0.6439000    
 C   -2.591200      0.3941000     -0.3364000    
 C   -3.179600      0.7029000       1.031800    
 C   -4.660700      0.5092000      0.7738000    
 C   -4.671500     -0.6821000     -0.1790000    
 C    4.747100      6.5200001E-02 -0.4513000    
 C    5.223500      0.6153000      0.8874000    
 C    5.730800      -1.067700     -0.7175000    
 C    5.659700     -0.6132000       1.682500    
 C    5.991600      -1.691900      0.6517000    
 C   -4.755300      -2.019300      0.5438000    
 C  -8.3600000E-02  0.7136000     -0.4395000    
 C   0.9816000     -0.1661000     -0.3309000    
 C    2.258400      0.3755000     -0.4408000    
 C  -0.7785000      -1.348400     -0.1130000    
 C    1.260200       2.446100     -0.7297000    
 H   -2.624800       1.262500      -1.006000    
 H   -2.825000     -1.3100000E-02   1.783200    
 H   -5.255500      0.3650000       1.680200    
 H   -5.472400     -0.6036000     -0.9230000    
 H    4.812700      0.8133000      -1.249300    
 H    4.468000       1.197400       1.424300    
 H    6.092500       1.265800      0.7276000    
 H    6.669500     -0.6569000      -1.109600    
 H    5.361500      -1.805100      -1.437500    
 H    4.845200     -0.9574000       2.330500    
 H    6.516000     -0.3873000       2.325900    
 H    7.027900      -2.033600      0.7405000    
 H    5.346000      -2.564400      0.8049000    
 H    3.246300      -1.428000     -0.1508000    
 H   -5.661700      -2.092300       1.152600    
 H   -3.885500      -2.186700       1.185800    
 H   -1.463100      -2.173000      3.1800002E-02
 H   -3.341800       2.171400       2.289100    
 H   -5.063700       2.416400      0.6775000    
 H   -5.564600      -2.938400     -0.9697000    
 H    1.405900       3.508600     -0.8923000    


%chk=000004402-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000004402

0 1
O -3.529468 -1.187552 -0.506362
O -2.858141 2.337986 0.299078
O -5.268256 1.560405 -0.510299
O -5.044452 -3.110621 0.871890
N -1.286975 -0.386885 -0.565684
N 3.383851 -0.279568 -0.355254
N 0.634039 -1.622127 -0.787184
N -0.270130 1.822261 0.002846
N 2.176937 1.719166 0.084915
C -2.703923 0.008974 -0.638354
C -3.138812 0.943043 0.528303
C -4.671948 0.720108 0.523705
C -4.841475 -0.761528 0.132590
C 4.706046 0.351220 -0.139606
C 5.107952 0.361119 1.361603
C 5.813716 -0.518388 -0.780011
C 5.642263 -1.074787 1.645992
C 6.087925 -1.652585 0.256243
C -5.077411 -1.715834 1.309133
C -0.226548 0.486711 -0.313888
C 0.947994 -0.292608 -0.452317
C 2.195609 0.374008 -0.236888
C -0.711720 -1.637241 -0.854582
C 0.978292 2.354800 0.181785
H -2.898624 0.510702 -1.608651
H -2.692542 0.564859 1.472389
H -5.116603 0.945055 1.513815
H -5.625910 -0.870721 -0.635219
H 4.654277 1.372822 -0.550935
H 4.265684 0.655643 2.009169
H 5.910495 1.110479 1.499634
H 6.714714 0.109602 -0.902438
H 5.537947 -0.895338 -1.781509
H 4.849588 -1.703895 2.089485
H 6.476587 -1.055062 2.368650
H 7.151166 -1.949180 0.251030
H 5.508059 -2.562120 0.009728
H 3.336802 -1.275262 -0.587470
H -6.087341 -1.559484 1.724917
H -4.325291 -1.530371 2.107349
H -1.325028 -2.500754 -1.093626
H -1.828309 2.412899 0.199435
H -4.726637 2.400512 -0.516248
H -4.207745 -3.237816 0.353647
H 1.016744 3.418053 0.435095


