%chk=000147911.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000147911

0 1
 O   -2.843100      0.2664000       1.062000    
 O    2.855400     -0.2122000      -1.091900    
 O   -4.611400       3.139000      0.9799000    
 O    3.893700      -2.661000      0.9844000    
 O   -3.943900       2.652300      -1.054000    
 O    4.579700      -3.111700      -1.051600    
 N   -4.482900       2.329700      3.0999999E-02
 N    4.451200      -2.322200     -8.6199999E-02
 N   -8.654600      -2.190100     -0.2541000    
 N    8.683100       2.128300      0.3569000    
 N   -8.917600      4.5699999E-02 -0.8810000    
 N    8.908600     -0.1269000      0.9266000    
 C  -0.5656000      0.3920000      0.3332000    
 C   0.5660000     -0.3212000     -0.3986000    
 C   -1.826800     -0.4585000      0.3831000    
 C    1.839900      0.5116000     -0.4111000    
 C   -4.138600     -9.9999997E-05  0.7019000    
 C    4.149200      2.7100001E-02 -0.7077000    
 C   -4.964500       1.001200      0.1910000    
 C    4.954000     -0.9976000     -0.2100000    
 C   -4.627200      -1.297900      0.8527000    
 C    4.658300       1.320800     -0.8221000    
 C   -6.767600     -0.5932000     -1.8200001E-02
 C    6.777000      0.5649000      5.9400000E-02
 C   -6.279000      0.7045000     -0.1691000    
 C    6.267900     -0.7288000      0.1735000    
 C   -5.941600      -1.594400      0.4926000    
 C    5.972100       1.589600     -0.4385000    
 C   -8.138100     -0.9032000     -0.3933000    
 C    8.146600      0.8460000      0.4592000    
 H  -0.7901000       1.348100     -0.1563000    
 H  -0.2591000      0.6437000       1.356200    
 H   0.7726000      -1.289400      7.4900001E-02
 H   0.2689000     -0.5489000      -1.429800    
 H   -2.141100     -0.7074000     -0.6389000    
 H   -1.632000      -1.390300      0.9262000    
 H    1.665900       1.458200     -0.9354000    
 H    2.143200      0.7328000      0.6206000    
 H   -3.998400      -2.086300       1.257500    
 H    4.046300       2.127500      -1.216700    
 H   -6.908000       1.498500     -0.5656000    
 H    6.880100      -1.540800      0.5596000    
 H   -6.270700      -2.618100      0.6321000    
 H    6.317800       2.611300     -0.5501000    
 H   -9.613200      -2.386900     -0.5227000    
 H   -8.127500      -2.974000      0.1098000    
 H    9.641800       2.304200      0.6396000    
 H    8.170200       2.929200      1.0300000E-02
 H   -9.835700     -0.3647000      -1.084600    
 H    9.830300      0.2648000       1.149900    


%chk=000147911-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000147911

0 1
O -3.009978 0.651699 -0.068055
O 3.016666 -0.651587 0.072121
O -5.902270 3.377328 0.580004
O 4.079477 -3.064109 0.751754
O -4.071949 3.064116 -0.744048
O 5.909975 -3.376200 -0.572372
N -5.084230 2.623126 -0.080135
N 5.091298 -2.622370 0.087760
N -8.840660 -2.248393 0.279636
N 8.846995 2.249998 -0.267457
N -9.395183 -0.015238 -0.485811
N 9.401386 0.017081 0.498731
C -0.615206 0.462989 0.012978
C 0.621506 -0.463835 -0.003389
C -1.913589 -0.342374 -0.059158
C 1.919731 0.341865 0.067930
C -4.317018 0.200025 -0.124062
C 4.323564 -0.199687 0.131002
C -5.369008 1.168919 -0.093246
C 5.375638 -1.168291 0.101333
C -4.685246 -1.169077 -0.168774
C 4.691434 1.169584 0.176731
C -7.077395 -0.584263 -0.114317
C 7.083745 0.585155 0.124656
C -6.718463 0.782081 -0.072706
C 6.725162 -0.781112 0.082435
C -6.041541 -1.550120 -0.172082
C 6.047532 1.550838 0.181845
C -8.533470 -0.940481 -0.113909
C 8.539832 0.941740 0.125380
H -0.590502 1.164168 -0.842333
H -0.628862 1.076843 0.933496
H 0.597048 -1.165056 0.851870
H 0.635052 -1.077592 -0.923982
H -1.957949 -0.948554 -0.986722
H -2.024972 -1.011719 0.818461
H 2.028561 1.013089 -0.808600
H 1.966006 0.946151 0.996603
H -3.914026 -1.942732 -0.207320
H 3.919921 1.942958 0.214684
H -7.510523 1.535219 -0.041953
H 7.517187 -1.534317 0.052353
H -6.280048 -2.616189 -0.258309
H 6.285621 2.616882 0.269379
H -9.805616 -2.571512 0.255100
H -8.156152 -2.843913 0.740275
H 9.812347 2.572097 -0.244328
H 8.163527 2.844260 -0.731285
H -10.389084 -0.317567 -0.430758
H 10.395233 0.319673 0.445192


