%chk=000047033.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000047033

1 1
 O   -1.473800      0.3407000     -0.4802000    
 O   -2.200700     -0.1975000       1.649700    
 N   0.9601000       1.688600     -0.1348000    
 N   -3.774700      0.3214000      1.7899999E-02
 C   0.8888000      0.1597000     -0.1518000    
 C    2.053300     -0.5175000      7.7000000E-03
 C    3.382700      0.1378000      0.1953000    
 C    1.870800       2.149800      -1.269200    
 C    1.505700       2.139800       1.217200    
 C  -0.4105000       2.332700     -0.3330000    
 C  -0.3366000     -0.3967000     -0.3248000    
 C    1.985100      -1.910700     -7.7000000E-03
 C  -0.4048000      -1.790000     -0.3403000    
 C   0.7561000      -2.546800     -0.1815000    
 C    4.365700     -0.1941000     -0.9421000    
 C    4.018700     -0.2043000       1.554800    
 C   -1.710800      -2.490100     -0.5246000    
 C   -2.473500      0.1277000      0.4947000    
 C   -4.914100      0.1388000      0.9059000    
 C   -4.087500      0.7107000      -1.353200    
 H    3.393500       1.209000      0.1993000    
 H    1.336500       2.911600      -1.850500    
 H    2.774400       2.646300     -0.9081000    
 H    2.079300       1.331600      -1.963700    
 H    2.500400       2.584800       1.148900    
 H   0.8599000       2.940700       1.597800    
 H    1.455100       1.326200       1.946900    
 H   -1.044700       2.189600      0.5461000    
 H  -0.2265000       3.418400     -0.3365000    
 H  -0.8048000       2.135500      -1.336600    
 H    2.874600      -2.522600      0.1142000    
 H   0.7182000      -3.632900     -0.1888000    
 H    4.634000      -1.256300     -0.9505000    
 H    5.295400      0.3745000     -0.8252000    
 H    3.947900      4.8200000E-02  -1.924100    
 H    4.268100      -1.268300       1.632300    
 H    3.348900      4.0399998E-02   2.385400    
 H    4.947800      0.3591000       1.697900    
 H   -2.247800      -2.580300      0.4240000    
 H   -2.339300      -1.991100      -1.269100    
 H   -1.552800      -3.506300     -0.9051000    
 H   -5.469500       1.079300      0.9640000    
 H   -4.600100     -0.1518000       1.911500    
 H   -5.558700     -0.6434000      0.4947000    
 H   -4.626400       1.662300      -1.331900    
 H   -4.723300     -5.9799999E-02  -1.798600    
 H   -3.191400      0.8259000      -1.965700    


%chk=000047033-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000047033

1 1
O -1.635456 0.099770 -0.738550
O -1.685521 0.553366 1.578849
N 0.850638 1.790944 -0.268070
N -3.679610 0.375613 0.340008
C 0.855518 0.247575 -0.348868
C 2.086397 -0.460158 -0.135016
C 3.442696 0.082573 0.386301
C 1.928221 2.355896 -1.217345
C 1.045937 2.232763 1.197049
C -0.432896 2.505292 -0.740582
C -0.337963 -0.488388 -0.627677
C 2.065540 -1.862030 -0.353862
C -0.324897 -1.891495 -0.839042
C 0.909470 -2.561835 -0.725409
C 4.603665 -0.184849 -0.611313
C 3.759285 -0.529491 1.781717
C -1.603836 -2.640422 -1.151699
C -2.328986 0.342572 0.514840
C -4.538076 0.698340 1.501890
C -4.375479 0.090606 -0.931675
H 3.410989 1.173475 0.542814
H 1.558878 2.238850 -2.247167
H 2.067784 3.422641 -0.982258
H 2.873606 1.821789 -1.113077
H 2.020959 1.901522 1.569788
H 0.979723 3.331859 1.238352
H 0.234016 1.766271 1.776504
H -1.206039 2.419067 0.028888
H -0.164648 3.565865 -0.870389
H -0.772667 2.078039 -1.691198
H 2.995152 -2.421712 -0.217195
H 0.953924 -3.642377 -0.894002
H 4.779444 -1.265259 -0.750635
H 5.540579 0.254207 -0.225416
H 4.407568 0.245340 -1.611223
H 3.898111 -1.622858 1.724104
H 2.949281 -0.335412 2.507965
H 4.694379 -0.095346 2.178980
H -2.324688 -2.580026 -0.315173
H -2.106737 -2.228410 -2.044133
H -1.393115 -3.706014 -1.335454
H -5.151267 1.591031 1.282817
H -3.907499 0.892305 2.381107
H -5.211004 -0.150258 1.720063
H -4.955804 0.976099 -1.249410
H -5.076367 -0.752802 -0.793466
H -3.650506 -0.163929 -1.714128


