%chk=000043572.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000043572

0 1
 O    3.247900      -2.441400      0.9188000    
 O    5.143300      -1.272400     -0.7398000    
 O   -2.438000      -2.829800     -0.1974000    
 O   -4.721600       1.373600     -0.4324000    
 O   -4.627800      -1.335000      -1.000800    
 N    1.496000       3.566900     -0.3736000    
 C  -0.3768000       1.129600       1.776700    
 C   0.6966000       1.663900      0.8874000    
 C    1.804800      0.9056000      0.4922000    
 C   -1.517600      0.4677000       1.031600    
 C    2.770000       1.495300     -0.3498000    
 C    1.983000     -0.4234000      0.9101000    
 C   0.5928000       2.969600      0.4327000    
 C   -2.601100       1.233500      0.6414000    
 C   -1.448900     -0.8867000      0.7592000    
 C    3.889900      0.7515000     -0.7571000    
 C    3.099600      -1.153500      0.4991000    
 C    4.051100     -0.5673000     -0.3326000    
 C    2.559100       2.818100     -0.7443000    
 C   -2.499600      -1.495900      7.3100001E-02
 C   -3.651900      0.6245000     -4.4500001E-02
 C   -3.601200     -0.7403000     -0.3288000    
 C    2.677500      -3.459400      9.9200003E-02
 C    6.069300     -0.5991000      -1.590100    
 C   -2.983600      -3.714800      0.7788000    
 C   -4.695000       2.760900     -0.1026000    
 C   -4.918000     -0.8418000      -2.306600    
 H  -0.7846000       1.952700       2.382700    
 H   1.9500000E-02  0.4538000       2.544100    
 H    1.306200     -0.9147000       1.597700    
 H  -0.2452000       3.602500      0.7092000    
 H   -2.584200       2.288200      0.8914000    
 H  -0.6200000      -1.501200       1.085500    
 H    4.599200       1.257400      -1.405000    
 H    3.263200       3.332800      -1.392300    
 H    2.885900      -4.428300      0.5612000    
 H    3.123400      -3.445000     -0.9003000    
 H    1.592600      -3.331300      2.8600000E-02
 H    5.613200     -0.3250000      -2.547600    
 H    6.873800      -1.307400      -1.814100    
 H    6.532100      0.2567000      -1.086700    
 H   -2.868000      -4.739400      0.4151000    
 H   -4.049200      -3.514600      0.9284000    
 H   -2.445900      -3.617400       1.727400    
 H   -5.621500       3.200500     -0.4865000    
 H   -3.868100       3.278700     -0.6008000    
 H   -4.694500       2.918600      0.9813000    
 H   -5.263100      -1.683000      -2.915100    
 H   -4.035700     -0.4094000      -2.791500    
 H   -5.725500     -0.1060000      -2.258600    


%chk=000043572-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000043572

0 1
O 2.769205 -2.406528 -0.088069
O 4.700472 -0.897852 -1.486357
O -3.245987 -2.975170 1.470703
O -3.695086 0.953674 -1.387271
O -4.515058 -1.626589 -0.722956
N 1.654117 3.892634 1.006900
C -0.373163 0.947992 2.412873
C 0.690069 1.704138 1.630392
C 1.678308 1.025557 0.827232
C -1.445068 0.265034 1.555477
C 2.652164 1.830815 0.125673
C 1.747065 -0.395960 0.685299
C 0.734719 3.104978 1.678665
C -2.031384 0.951781 0.463668
C -1.898364 -1.029263 1.880153
C 3.662084 1.199267 -0.668088
C 2.731600 -1.006838 -0.092568
C 3.720133 -0.192818 -0.775034
C 2.576256 3.257091 0.258956
C -2.915066 -1.653575 1.118024
C -3.052319 0.340244 -0.296789
C -3.493711 -0.984141 0.006253
C 2.785848 -3.113565 -1.387560
C 5.770188 -0.115729 -2.115204
C -4.674579 -3.270644 1.717110
C -3.311237 2.331832 -1.707297
C -4.230790 -1.868859 -2.154566
H -0.868626 1.665734 3.096915
H 0.102562 0.185900 3.060231
H 1.017904 -1.046897 1.174462
H 0.008021 3.657520 2.286728
H -1.678981 1.957930 0.217944
H -1.476831 -1.587664 2.722589
H 4.397876 1.833764 -1.173036
H 3.302288 3.892348 -0.266060
H 2.771986 -4.181599 -1.123739
H 3.692108 -2.865486 -1.962601
H 1.879094 -2.859756 -1.969454
H 5.367933 0.559821 -2.894532
H 6.437337 -0.859536 -2.574283
H 6.325640 0.472607 -1.360250
H -4.705101 -4.344158 1.959187
H -5.281062 -3.051394 0.823511
H -5.040614 -2.680864 2.580094
H -3.945322 2.614242 -2.560628
H -2.244087 2.398873 -1.994299
H -3.508296 3.009003 -0.854390
H -5.103227 -2.425319 -2.530492
H -3.315328 -2.480687 -2.266033
H -4.122290 -0.912785 -2.693484


