%chk=000030266.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000030266

0 1
 O   -1.047700       1.469000      0.4332000    
 O    3.451900       2.480000     -0.7631000    
 O    5.262200      0.8167000      0.2846000    
 N   -4.284700     -9.3300000E-02 -0.3841000    
 C   -5.464700      0.4000000      -1.108200    
 C   -4.650600     -0.5971000      0.9471000    
 C   -6.510100     -0.7038000      -1.276600    
 C   -5.669500      -1.733300      0.8461000    
 C   -6.907400      -1.300700      6.8599999E-02
 C   -3.275600      0.9596000     -0.2730000    
 C   -2.003600      0.4192000      0.3608000    
 C   0.2729000       1.106800      0.3788000    
 C    1.204300       1.982300     -0.1680000    
 C    2.952800      0.3739000      0.2717000    
 C   0.6681000     -0.1313000      0.8726000    
 C    2.548900       1.614500     -0.2219000    
 C    4.712300      -1.521900      8.9100003E-02
 C    2.012400     -0.4990000      0.8187000    
 C    4.350500     -3.1800002E-02  0.2213000    
 C    6.039300      -1.762800     -0.6309000    
 C    6.338300      -3.246900     -0.7665000    
 H   -5.913700       1.255500     -0.5865000    
 H   -5.170600      0.7452000      -2.106900    
 H   -5.053600      0.2074000       1.576100    
 H   -3.795500      -1.031600       1.471200    
 H   -7.397000     -0.3004000      -1.778300    
 H   -6.108800      -1.494400      -1.923200    
 H   -5.209900      -2.597300      0.3491000    
 H   -5.961200      -2.060500       1.850600    
 H   -7.463000     -0.5549000      0.6504000    
 H   -7.575600      -2.155800     -8.1500001E-02
 H   -3.644400       1.819300      0.3025000    
 H   -3.022900       1.348300      -1.268300    
 H   -1.643400     -0.4176000     -0.2526000    
 H   -2.162300      8.3899997E-02   1.388700    
 H   0.8867000       2.948100     -0.5522000    
 H  -2.5699999E-02 -0.8265000       1.335200    
 H    4.751300      -1.944800       1.099500    
 H    3.918800      -2.030400     -0.4709000    
 H    2.298700      -1.462600       1.230900    
 H    6.010300      -1.301800      -1.625200    
 H    6.855800      -1.279300     -8.1900001E-02
 H    5.558600      -3.753300      -1.344400    
 H    7.292800      -3.395700      -1.281100    
 H    6.403700      -3.725100      0.2160000    
 H    4.328900       2.069400     -0.8207000    


%chk=000030266-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000030266

0 1
O -1.055216 1.235867 -0.135420
O 3.505834 2.595865 -0.163488
O 5.340895 0.864899 -0.178260
N -4.578333 0.002772 -0.175863
C -5.752786 0.456738 -0.965708
C -4.969340 -0.391031 1.203148
C -6.816539 -0.656139 -1.057130
C -6.010657 -1.528708 1.181372
C -7.249615 -1.117386 0.353142
C -3.449126 0.961343 -0.200692
C -2.114525 0.204520 -0.160506
C 0.276577 0.826819 -0.142552
C 1.228509 1.865977 -0.147366
C 3.049857 0.178731 -0.159620
C 0.685842 -0.543790 -0.145389
C 2.604505 1.559185 -0.156502
C 5.001308 -1.547393 -0.169456
C 2.053765 -0.840390 -0.153236
C 4.487279 -0.110244 -0.169943
C 6.538816 -1.657625 -0.190606
C 7.012140 -3.126242 -0.176968
H -6.219911 1.370471 -0.510996
H -5.405238 0.732300 -1.978543
H -5.395325 0.486208 1.759452
H -4.066194 -0.715305 1.752879
H -7.686613 -0.285573 -1.632450
H -6.386532 -1.513280 -1.610727
H -5.546895 -2.428504 0.732880
H -6.300528 -1.780831 2.219595
H -7.775378 -0.285687 0.866745
H -7.965705 -1.957758 0.283931
H -3.483030 1.692244 0.641389
H -3.486894 1.547094 -1.136659
H -2.010795 -0.430717 -1.060455
H -2.037528 -0.431032 0.743935
H 0.905910 2.909509 -0.146305
H -0.049041 -1.352446 -0.142335
H 4.598455 -2.068520 0.723924
H 4.572678 -2.079699 -1.043932
H 2.364502 -1.890351 -0.155526
H 6.928755 -1.137692 -1.084852
H 6.954236 -1.112815 0.676879
H 6.632140 -3.680791 -1.056314
H 8.115333 -3.186628 -0.194119
H 6.661291 -3.654180 0.730417
H 4.451118 2.165411 -0.170970


