%chk=000045298.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000045298

0 1
 O  -0.4279000      -1.801800      -1.821500    
 O  -0.5453000      0.3222000      -2.708000    
 N    3.164500       1.005000      3.9099999E-02
 C  -0.5531000      5.7900000E-02 -0.2620000    
 C   0.6737000      0.9105000      4.8099998E-02
 C    1.997000      0.1669000     -0.2137000    
 C  -0.5209000      -1.258800      0.4360000    
 C   -1.813700      0.8175000     -2.7000001E-03
 C  -0.5128000     -0.4125000      -1.729500    
 C   0.6360000       2.197300     -0.7838000    
 C  -0.4482000      -2.260300     -0.5163000    
 C  -0.5454000      -1.567100       1.786200    
 C    4.395800      0.2820000     -0.2821000    
 C    3.185600       1.451000       1.432800    
 C   -1.887000       1.692600       1.079200    
 C   -2.911900      0.6489000     -0.8437000    
 C  -0.4002000      -3.598300     -0.1719000    
 C  -0.4987000      -2.912700       2.158900    
 C  -0.4269000      -3.922300       1.185300    
 C   -3.063500       2.401900       1.321300    
 C   -4.088300       1.358200     -0.6016000    
 C    4.394500     -0.1904000      -1.726100    
 C    4.360700       2.377500       1.695100    
 C   -4.164000       2.234700      0.4809000    
 H   0.6530000       1.163700       1.109700    
 H    2.059600     -0.7423000      0.3970000    
 H    1.982900     -0.1481000      -1.260500    
 H   0.9712000       2.033100      -1.813600    
 H  -0.3352000       2.694500     -0.8315000    
 H    1.320700       2.941200     -0.3594000    
 H  -0.5958000     -0.7917000       2.542700    
 H    5.264400      0.9419000     -0.1883000    
 H    4.556100     -0.5743000      0.3852000    
 H    2.306500       2.051900       1.678200    
 H    3.214000      0.6071000       2.133600    
 H   -1.080200       1.836600       1.788200    
 H   -2.918800     -4.4300001E-02  -1.678700    
 H  -0.3436000      -4.374600     -0.9266000    
 H  -0.5165000      -3.182100       3.211400    
 H  -0.3906000      -4.963800       1.493100    
 H   -3.126400       3.077700       2.169200    
 H   -4.948500       1.222400      -1.250600    
 H    3.762200      -1.070500      -1.879700    
 H    4.083100      0.6019000      -2.415700    
 H    5.409600     -0.4881000      -2.012900    
 H    5.313000       1.841300       1.749800    
 H    4.436400       3.162800      0.9349000    
 H    4.228100       2.873700       2.663400    
 H   -5.081300       2.784000      0.6717000    


%chk=000045298-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000045298

0 1
O -0.435384 -2.221827 -1.413255
O -0.485056 -0.375528 -2.825727
N 3.242585 0.734426 0.064391
C -0.563267 -0.034380 -0.314756
C 0.742942 0.867444 -0.191291
C 2.034015 0.036254 -0.443482
C -0.552656 -1.187611 0.693705
C -1.858361 0.800138 -0.184044
C -0.504485 -0.800917 -1.665384
C 0.713413 2.110312 -1.104159
C -0.483628 -2.412074 -0.002620
C -0.606186 -1.207443 2.098595
C 4.450646 0.500811 -0.774473
C 3.480412 0.470202 1.510309
C -2.002899 1.699256 0.905468
C -2.940073 0.657105 -1.087963
C -0.460441 -3.664856 0.619907
C -0.579282 -2.458222 2.766786
C -0.507757 -3.670069 2.036737
C -3.195898 2.428984 1.089682
C -4.136849 1.386200 -0.903266
C 4.425202 1.285056 -2.099732
C 4.275987 1.590634 2.206865
C -4.272717 2.273669 0.186275
H 0.770463 1.204139 0.865382
H 1.938310 -0.977693 0.014256
H 2.143603 -0.112432 -1.533542
H 0.566109 1.823401 -2.160569
H -0.093474 2.808139 -0.824147
H 1.682315 2.630307 -1.008498
H -0.681172 -0.279100 2.674438
H 5.331200 0.826080 -0.191016
H 4.595178 -0.589725 -0.982675
H 2.493576 0.379304 2.002820
H 3.994290 -0.512921 1.663399
H -1.177162 1.847990 1.610486
H -2.854011 -0.010233 -1.951327
H -0.408832 -4.588211 0.036732
H -0.620465 -2.488083 3.860703
H -0.492154 -4.626147 2.570756
H -3.283584 3.120569 1.935194
H -4.959984 1.261604 -1.615599
H 3.561857 1.004983 -2.729741
H 4.361837 2.369137 -1.900709
H 5.343717 1.084796 -2.682511
H 5.284250 1.713594 1.771658
H 3.745163 2.553462 2.106639
H 4.402574 1.363704 3.282136
H -5.199970 2.839673 0.327768


