%chk=000125261.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000125261

0 1
 O   -2.070700     -0.7539000       2.114100    
 O   -1.201900      0.8558000      -1.397000    
 O    5.885300      -1.444700      -1.422100    
 N  -0.1521000      0.5342000      0.6457000    
 N   -2.009700      -2.468600      0.5488000    
 C  -0.1684000     -0.9067000      0.6199000    
 C   0.9907000      -1.513400       1.418900    
 C   -1.504600      -1.353100       1.202400    
 C   -3.285300      -3.067100      0.8707000    
 C    2.295200      -1.495100      0.6603000    
 C   -4.429500      -2.470300      5.8100000E-02
 C   -4.251800      -2.677500      -1.447700    
 C    2.647200      -2.575100     -0.1494000    
 C    3.149900     -0.3981000      0.7704000    
 C  -0.6785000       1.305600     -0.3810000    
 C   -5.435500      -2.126200      -2.227500    
 C  -0.5604000       2.777200     -0.2160000    
 C    3.853600      -2.558100     -0.8491000    
 C    4.356500     -0.3813000      7.0500001E-02
 C    4.708300      -1.461300     -0.7390000    
 C  -0.5164000       3.603700      -1.338900    
 C  -0.4937000       3.332800       1.061800    
 C  -0.4058000       4.985500      -1.184100    
 C  -0.3831000       4.714700       1.216500    
 C  -0.3391000       5.541000      9.3500003E-02
 H  -0.1160000      -1.226700     -0.4288000    
 H   0.7610000      -2.554800       1.683100    
 H    1.115300     -0.9975000       2.380700    
 H   -3.197900      -4.141800      0.6793000    
 H   -3.482100      -2.929600       1.939400    
 H   -4.510300      -1.396700      0.2689000    
 H   -5.369300      -2.933200      0.3823000    
 H   0.2846000      0.9740000       1.448400    
 H   -1.466800      -2.898200     -0.1944000    
 H   -3.339000      -2.180900      -1.795700    
 H   -4.144500      -3.746400      -1.665800    
 H    1.988500      -3.434200     -0.2449000    
 H    2.887700      0.4493000       1.398200    
 H   -5.552100      -1.051500      -2.055000    
 H   -5.289000      -2.284300      -3.300500    
 H   -6.365000      -2.624700      -1.934600    
 H    4.121900      -3.402000      -1.478800    
 H    5.013500      0.4792000      0.1646000    
 H  -0.5625000       3.189900      -2.342800    
 H  -0.5585000       2.731100       1.963300    
 H  -0.3708000       5.629100      -2.058300    
 H  -0.3391000       5.148500       2.211200    
 H  -0.2546000       6.617000      0.2141000    
 H    6.349400     -0.6118000      -1.230000    


%chk=000125261-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000125261

0 1
O -1.271347 -2.999702 1.972576
O -1.183083 -0.489658 -1.790298
O 6.292968 0.393506 -0.090921
N 0.022275 -0.407275 0.188495
N -2.147860 -2.603576 -0.162481
C 0.162544 -1.878446 0.279182
C 1.332599 -2.254856 1.220063
C -1.159420 -2.544783 0.790838
C -3.486274 -3.148535 0.123882
C 2.639908 -1.549712 0.890268
C -4.553181 -2.056258 0.377166
C -4.859551 -1.175464 -0.856451
C 3.322710 -1.793335 -0.332920
C 3.215754 -0.627219 1.798292
C -0.615230 0.202670 -0.869481
C -5.944237 -0.114752 -0.569020
C -0.612327 1.705172 -0.911786
C 4.530419 -1.141645 -0.643101
C 4.428650 0.038285 1.505127
C 5.083462 -0.221334 0.279035
C -0.913184 2.323455 -2.152495
C -0.348074 2.517486 0.222946
C -0.926479 3.728718 -2.265024
C -0.367405 3.924424 0.110119
C -0.650014 4.533789 -1.134631
H 0.351433 -2.245686 -0.748921
H 1.451066 -3.352321 1.159883
H 1.019140 -2.047736 2.259114
H -3.796664 -3.783505 -0.729322
H -3.385863 -3.790928 1.015925
H -4.220122 -1.420852 1.221529
H -5.486202 -2.558898 0.706226
H 0.581670 0.152438 0.835423
H -1.972684 -2.084134 -1.039493
H -3.934349 -0.670473 -1.198153
H -5.189881 -1.825392 -1.693372
H 2.905811 -2.508481 -1.052827
H 2.723329 -0.439482 2.760787
H -5.624628 0.566944 0.241734
H -6.154126 0.500136 -1.463370
H -6.892682 -0.589595 -0.253101
H 5.058930 -1.330336 -1.582158
H 4.858738 0.743873 2.228051
H -1.135707 1.678841 -3.008786
H -0.163371 2.069756 1.207030
H -1.153320 4.196704 -3.229043
H -0.172149 4.544013 0.992095
H -0.663296 5.625990 -1.219922
H 6.605904 1.011967 0.614993


