%chk=000020829.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000020829

0 1
 O  -0.1990000       1.834700      0.1735000    
 O   -1.768000       2.631400       1.657500    
 N  -0.9126000     -0.9409000      0.7384000    
 N   -4.982100      -1.804600      -1.705600    
 C   0.9380000      -2.509200       1.069100    
 C  -0.5618000      -2.344900      0.7875000    
 C    1.813300      -1.828100      9.3999999E-03
 C    3.300400      -1.991100      0.3343000    
 C    4.223300      -1.306500     -0.6779000    
 C   -1.396800      -3.017500       1.872400    
 C    5.707900      -1.447700     -0.3403000    
 C   -2.057200     -0.4595000      0.1285000    
 C   -2.340300      0.9063000      0.1143000    
 C    6.582400     -0.8145000      -1.412000    
 C   -2.934400      -1.359800     -0.4760000    
 C    2.104800       2.566700     -3.6699999E-02
 C   -3.500600       1.371800     -0.5043000    
 C   -4.094700     -0.8944000      -1.094700    
 C   0.7752000       2.740900      0.7022000    
 C   -1.444300       1.872900      0.7363000    
 C   -4.377700      0.4713000      -1.108900    
 C    3.172700       3.476500      0.5665000    
 C    1.951500       2.846300      -1.533300    
 H    1.185900      -3.577200       1.113600    
 H    1.177300      -2.085900       2.053600    
 H  -0.7405000      -2.833800     -0.1777000    
 H    1.603200      -2.262000     -0.9755000    
 H    1.579700     -0.7602000     -5.2200001E-02
 H    3.546500      -3.059100      0.3793000    
 H    3.498900      -1.577800       1.331100    
 H    3.968300     -0.2417000     -0.7384000    
 H    4.035300      -1.732200      -1.671600    
 H  -0.3436000     -0.2917000       1.270000    
 H   -1.203900      -2.565900       2.852700    
 H   -1.146000      -4.081600       1.942800    
 H   -2.473300      -2.948500       1.694900    
 H    5.967700      -2.508200     -0.2449000    
 H    5.915000     -0.9737000      0.6259000    
 H    6.421500      -1.292900      -2.383500    
 H    7.639700     -0.9232000      -1.151000    
 H    6.365400      0.2536000      -1.514300    
 H   -2.757900      -2.430000     -0.5024000    
 H    2.429100       1.525300      7.2300002E-02
 H   -3.732500       2.433600     -0.5239000    
 H   0.4079000       3.768400      0.5908000    
 H   0.9123000       2.527400       1.769000    
 H   -5.278500      0.8463000      -1.588000    
 H    2.896400       4.532200      0.4721000    
 H    4.135200       3.331900      6.4499997E-02
 H    3.315000       3.256700       1.629800    
 H    1.599100       3.867800      -1.712100    
 H    1.237900       2.155300      -1.993800    
 H    2.909400       2.723200      -2.050000    
 H   -4.778400      -2.795100      -1.696700    
 H   -5.823000      -1.467000      -2.154800    


%chk=000020829-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000020829

0 1
O -0.296332 1.758106 0.633678
O -1.705308 3.252508 -0.487934
N -0.918892 -0.805378 0.706383
N -5.014030 -2.190280 -1.553818
C 1.016951 -2.163893 1.369094
C -0.512859 -2.158538 1.118933
C 1.864022 -1.874260 0.109629
C 3.379399 -1.796719 0.402239
C 4.221332 -1.463524 -0.850125
C -1.285982 -2.638356 2.375301
C 5.738649 -1.381220 -0.566213
C -2.047862 -0.478229 -0.020496
C -2.315768 0.896928 -0.411504
C 6.568002 -1.034966 -1.821863
C -2.975223 -1.487496 -0.417239
C 2.037881 2.547020 0.349534
C -3.495630 1.166969 -1.167600
C -4.129796 -1.183162 -1.175800
C 0.646091 2.868753 0.927345
C -1.474362 2.067424 -0.126568
C -4.394020 0.173305 -1.552461
C 3.041312 3.625414 0.825719
C 2.000954 2.445357 -1.191348
H 1.297555 -3.150438 1.788011
H 1.250041 -1.414591 2.156162
H -0.721831 -2.859007 0.281782
H 1.674584 -2.662590 -0.648255
H 1.531656 -0.921214 -0.348189
H 3.725759 -2.759497 0.833475
H 3.563431 -1.024796 1.179848
H 3.875431 -0.497317 -1.274752
H 4.036198 -2.228934 -1.632653
H -0.318306 -0.009153 0.957118
H -1.014823 -2.019388 3.250202
H -1.043801 -3.692509 2.607389
H -2.377252 -2.554646 2.229640
H 6.084217 -2.348752 -0.147812
H 5.921184 -0.620368 0.220361
H 6.428263 -1.797409 -2.611384
H 7.648211 -0.979318 -1.592942
H 6.260210 -0.058801 -2.242134
H -2.797241 -2.527783 -0.127748
H 2.359494 1.566194 0.760201
H -3.671671 2.210889 -1.447945
H 0.229978 3.795976 0.493146
H 0.682156 2.958082 2.028631
H -5.288894 0.420306 -2.134298
H 2.755439 4.624898 0.445956
H 4.057294 3.402726 0.452733
H 3.088978 3.680795 1.929802
H 1.704199 3.412194 -1.640026
H 1.275632 1.681200 -1.522881
H 2.995197 2.172228 -1.591405
H -4.846287 -3.159233 -1.298945
H -5.844428 -1.971410 -2.096171


