%chk=000031851.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000031851

0 1
 I    1.669500       1.434800      -1.330600    
 I   -1.749000       1.333800       1.626400    
 I    4.088500      -3.044600       2.036200    
 I   -4.371400      -3.521600     -0.9810000    
 I    7.643700       1.451600     -6.7000002E-02
 I   -7.558500       1.631900     -0.2307000    
 O    1.891600      -2.711800      -1.399400    
 O   -1.023900      -1.133400      -1.550700    
 O    4.652300       3.468600     -0.6988000    
 O   -4.421100       3.451300      0.2817000    
 O    6.918100     -0.8101000       2.733300    
 O   -6.863800      -1.237400      -2.414400    
 O    7.476900      -2.089400      0.9395000    
 O   -7.709400      -2.042700     -0.4643000    
 N    1.948200      -1.245300      0.4338000    
 N   -2.181400      -1.625800      0.4319000    
 N    5.087900       2.247600      -2.621300    
 N   -5.148700       2.719000       2.358100    
 C    3.224000     -0.6429000      0.3199000    
 C   -3.386300     -0.8973000      0.2854000    
 C    4.618700       1.131500     -0.5102000    
 C   -4.635700       1.135700      0.5825000    
 C  -8.5000005E-03  -2.590000      5.7000000E-02
 C    3.362000      0.5360000     -0.4004000    
 C   -3.449500      0.4166000      0.7293000    
 C    4.319000      -1.237500      0.9324000    
 C   -4.487100      -1.505800     -0.3026000    
 C    5.575700     -0.6418000      0.8223000    
 C   -5.673300     -0.7865000     -0.4494000    
 C    5.725400      0.5427000      0.1011000    
 C   -5.747500      0.5342000     -6.8999999E-03
 C    1.381900      -2.194900     -0.4097000    
 C   -1.124400      -1.702700     -0.4675000    
 C    4.775900       2.374600      -1.267200    
 C   -4.713700       2.521900       1.046900    
 C    6.736600      -1.259500       1.465000    
 C   -6.839500      -1.417900      -1.069000    
 C    5.297600       3.379700      -3.495000    
 C   -5.300900       4.027200       2.953300    
 H  -2.2100000E-02  -2.612600       1.153500    
 H  -0.2066000      -3.612600     -0.2851000    
 H    1.312200     -0.7511000       1.056500    
 H   -2.221700      -2.347100       1.149100    
 H    5.206300       1.318000      -3.013800    
 H   -5.403200       1.910800       2.918800    
 H    4.976700       3.103500      -4.501900    
 H    6.364600       3.615500      -3.500100    
 H    4.731100       4.246300      -3.145500    
 H   -5.098500       3.945800       4.023600    
 H   -6.331000       4.356900       2.797400    
 H   -4.612700       4.741500       2.494800    
 H    7.697100      -1.225700       3.160800    
 H   -7.646700      -1.661200      -2.826400    


%chk=000031851-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000031851

0 1
I 3.587776 -0.808059 -3.710026
I -2.085292 -1.157646 2.587616
I 1.206954 1.710052 1.375644
I -4.530897 -0.525662 -3.011803
I 7.206436 2.348310 0.140779
I -7.209071 2.190480 1.820574
O 1.979698 -2.261602 -0.853204
O -1.283307 0.446583 -1.445499
O 6.688052 1.286509 -3.349380
O -4.010873 1.788702 3.800475
O 4.082975 4.047188 1.419604
O -6.398437 2.467367 -1.804804
O 4.643440 2.274227 2.819314
O -7.782373 0.616442 -1.522979
N 1.439178 -0.032395 -1.352459
N -2.470385 -1.379167 -0.618315
N 6.973058 -0.705438 -2.156576
N -5.360823 -0.087852 4.154209
C 2.717562 0.511758 -1.040379
C -3.546171 -0.603506 -0.080219
C 5.134781 0.755498 -1.534557
C -4.654378 0.436082 1.878093
C -0.276560 -1.781301 -1.671552
C 3.848191 0.265047 -1.867176
C -3.616450 -0.345691 1.315787
C 2.896114 1.326859 0.111701
C -4.565278 -0.079831 -0.918737
C 4.161792 1.866212 0.444817
C -5.611848 0.711078 -0.385028
C 5.273044 1.560182 -0.377627
C -5.639580 0.965820 1.008586
C 1.153926 -1.387710 -1.233182
C -1.368744 -0.803022 -1.243900
C 6.331905 0.482452 -2.439606
C -4.643499 0.783851 3.363616
C 4.329455 2.702294 1.690408
C -6.717756 1.220367 -1.279645
C 8.142393 -1.168277 -2.912690
C -5.455712 0.067363 5.611447
H -0.448176 -2.803556 -1.298549
H -0.276495 -1.821556 -2.779229
H 0.629793 0.591185 -1.534923
H -2.437866 -2.378413 -0.401821
H 6.593450 -1.296245 -1.413865
H -5.846222 -0.866852 3.705094
H 7.920873 -2.108136 -3.451210
H 9.006503 -1.328820 -2.242991
H 8.396428 -0.387718 -3.647046
H -5.029803 -0.810778 6.129826
H -6.505732 0.202624 5.927921
H -4.878756 0.962515 5.891782
H 4.190211 4.581538 2.254339
H -7.138105 2.788448 -2.391056


