%chk=000019780.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000019780

0 1
 O  -0.8010000     -0.9019000       1.144300    
 O   0.3827000       2.149700       1.827300    
 O    3.391700     -0.6301000      0.1667000    
 O   0.2090000      -1.662500     -0.8258000    
 O    5.459600     -3.8699999E-02 -0.6764000    
 N    1.410000       1.388500     -0.1070000    
 C   -3.323200      -1.732000      0.1386000    
 C   -2.760100     -0.3720000     -0.1124000    
 C   -1.515900     -7.4000000E-03  0.4020000    
 C   -1.006200       1.267700      0.1566000    
 C   -1.740700       2.178200     -0.6030000    
 C   -3.494600      0.5384000     -0.8723000    
 C   -3.525100      -2.532900      -1.160900    
 C   -4.640400      -1.684400      0.9346000    
 C   -2.985000       1.813700      -1.117500    
 C   0.2957000       1.645200      0.6964000    
 C   -1.221200       3.551000     -0.8822000    
 C    2.766300       1.683000      0.2964000    
 C    3.400900      0.5083000       1.018300    
 C   6.4300001E-02  -1.707400      0.3886000    
 C   0.8008000      -2.652200       1.291400    
 C    4.490000     -0.7838000     -0.6334000    
 C    4.342400      -2.018300      -1.470300    
 H   -2.634600      -2.324400      0.7519000    
 H   -4.465700      0.2778000      -1.283700    
 H   -2.590100      -2.596500      -1.728400    
 H   -3.850700      -3.554300     -0.9353000    
 H   -4.281700      -2.079300      -1.810000    
 H   -5.443100      -1.195500      0.3723000    
 H   -4.977200      -2.697400       1.180700    
 H   -4.507200      -1.137100       1.874500    
 H   -3.570500       2.510300      -1.711800    
 H   -1.940200       4.150500      -1.451300    
 H  -0.3004000       3.500100      -1.472400    
 H   -1.024400       4.086500      5.2499998E-02
 H    1.269400      0.9594000      -1.017400    
 H    2.767600       2.567800      0.9410000    
 H    3.316900       1.919300     -0.6196000    
 H    4.413000      0.7532000       1.360800    
 H    2.818000      0.2486000       1.909000    
 H    1.335200      -2.088500       2.060100    
 H    1.531600      -3.217300      0.7059000    
 H   9.5200002E-02  -3.351100       1.746700    
 H    5.221100      -2.129400      -2.112000    
 H    4.268300      -2.896600     -0.8243000    
 H    3.456400      -1.931300      -2.104300    


%chk=000019780-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000019780

0 1
O -0.665635 -0.873638 0.973505
O 0.560682 2.691326 1.453445
O 3.512536 -0.708898 0.466784
O 0.468895 -1.531833 -0.964773
O 5.213802 -0.179851 -1.039957
N 1.387179 1.274457 -0.199426
C -3.266438 -1.785439 0.081970
C -2.805513 -0.334990 -0.082518
C -1.501571 0.084099 0.279873
C -1.033978 1.407780 0.113002
C -1.910861 2.390740 -0.433098
C -3.647881 0.654536 -0.643862
C -3.157746 -2.538113 -1.275615
C -4.698231 -1.896074 0.661985
C -3.212622 1.985033 -0.811430
C 0.359006 1.831217 0.539575
C -1.466612 3.831302 -0.606061
C 2.788953 1.645818 0.026878
C 3.536552 0.694715 0.977196
C 0.239266 -1.679530 0.258400
C 0.898967 -2.677193 1.175571
C 4.394844 -1.009333 -0.586361
C 4.180336 -2.428657 -1.060793
H -2.581134 -2.277473 0.797631
H -4.664802 0.381355 -0.945469
H -2.132301 -2.485526 -1.682882
H -3.432577 -3.602297 -1.151905
H -3.841318 -2.093307 -2.022740
H -5.455149 -1.488610 -0.033475
H -4.953143 -2.957157 0.839093
H -4.786982 -1.353807 1.620213
H -3.894323 2.727658 -1.241202
H -2.238489 4.420170 -1.129304
H -0.527851 3.900424 -1.186932
H -1.263839 4.298435 0.373713
H 1.162343 0.555010 -0.895105
H 2.797006 2.652402 0.483722
H 3.316321 1.691116 -0.941128
H 4.586167 1.020053 1.089530
H 3.037751 0.631518 1.956000
H 1.925121 -2.320272 1.379906
H 0.975673 -3.652565 0.667470
H 0.351201 -2.778024 2.123216
H 4.885701 -2.659549 -1.871622
H 4.326071 -3.139017 -0.228418
H 3.141526 -2.543113 -1.419702


