%chk=000049702.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000049702

0 1
 O   -4.455200      -2.777900      -1.156100    
 O   0.9087000      0.1270000      0.2919000    
 O   -3.575000       1.573700      0.9806000    
 O    2.068700       3.846300     -0.8997000    
 N   -2.928900     -0.9892000      0.4478000    
 C   -1.679300     -0.5422000       1.059700    
 C   -2.821000     -0.9903000      -1.017700    
 C   -3.294200      -2.329600      0.9267000    
 C   -1.313900      0.8472000      0.6325000    
 C   -4.132200      -1.471200      -1.632800    
 C   -4.593700      -2.779700      0.2653000    
 C  -5.5000000E-03   1.149000      0.2541000    
 C   -2.288900       1.845100      0.6139000    
 C   0.3240000       2.444300     -0.1416000    
 C   -1.957000       3.141500      0.2177000    
 C  -0.6492000       3.446000     -0.1617000    
 C    1.710500       2.734200     -0.5375000    
 C    2.218800      0.3989000     -7.1900003E-02
 C    2.656700       1.601800     -0.4763000    
 C    3.116600     -0.7713000       0.000000    
 C    4.477100     -0.5961000      0.2656000    
 C    2.610500      -2.058400     -0.1981000    
 C    5.326000      -1.701100      0.3332000    
 C    3.459400      -3.163300     -0.1308000    
 C    4.817200      -2.984800      0.1352000    
 H  -0.8850000      -1.263000      0.8315000    
 H   -1.780400     -0.5313000       2.153400    
 H   -2.008200      -1.657000      -1.335900    
 H   -2.617100      3.3000000E-03  -1.428300    
 H   -3.433500      -2.320000       2.013800    
 H   -2.498800      -3.048900      0.6916000    
 H   -4.958900     -0.7851000      -1.411300    
 H   -4.033700      -1.530700      -2.721500    
 H   -4.835000      -3.801600      0.5749000    
 H   -5.436300      -2.138600      0.5517000    
 H   -2.714700       3.920500      0.2021000    
 H  -0.4097000       4.460400     -0.4675000    
 H    3.674600       1.805900     -0.7868000    
 H   -3.644200      0.6843000       1.361300    
 H    4.908700      0.3844000      0.4479000    
 H    1.558500      -2.227200     -0.4152000    
 H    6.382300      -1.562900      0.5450000    
 H    3.063800      -4.162700     -0.2870000    
 H    5.477800      -3.845200      0.1886000    


%chk=000049702-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000049702

0 1
O -4.920551 -2.712566 -1.133211
O 1.058976 0.144694 0.263209
O -3.592396 1.354879 0.724938
O 2.194471 4.128402 -0.303970
N -2.962173 -1.072608 0.251177
C -1.595085 -0.729198 0.784972
C -2.964258 -1.195076 -1.244228
C -3.521009 -2.308987 0.878409
C -1.251337 0.725988 0.506166
C -4.389982 -1.479536 -1.739696
C -4.933188 -2.578940 0.330856
C 0.073378 1.158998 0.285554
C -2.275563 1.722919 0.538267
C 0.419014 2.523611 0.102135
C -1.952956 3.101437 0.370364
C -0.625947 3.487020 0.157830
C 1.827986 2.916125 -0.129638
C 2.406775 0.487769 0.041834
C 2.781964 1.799729 -0.140450
C 3.289472 -0.699406 0.050330
C 4.630559 -0.611614 -0.416604
C 2.812797 -1.951636 0.527920
C 5.471098 -1.741845 -0.396420
C 3.657083 -3.080994 0.546122
C 4.990152 -2.982493 0.085772
H -0.822057 -1.405671 0.368403
H -1.632296 -0.898966 1.880171
H -2.285754 -2.018913 -1.556259
H -2.588443 -0.249565 -1.674932
H -3.564342 -2.162333 1.973645
H -2.863183 -3.180687 0.664866
H -5.054661 -0.621719 -1.499573
H -4.399176 -1.655029 -2.827088
H -5.324736 -3.534848 0.714320
H -5.616971 -1.754593 0.629390
H -2.767366 3.829979 0.410101
H -0.347265 4.537216 0.023366
H 3.834458 2.053453 -0.284303
H -3.608709 0.286457 0.606220
H 5.015014 0.334475 -0.810986
H 1.784015 -2.026209 0.890598
H 6.500016 -1.657945 -0.762418
H 3.276859 -4.037303 0.921809
H 5.645718 -3.859974 0.099332


