%chk=000080875.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000080875

0 1
 O   -1.995500       3.156700      3.7000000E-03
 O    1.995600      -3.156800     -1.5000000E-03
 N  -9.9100001E-02   1.793000      9.9999997E-05
 N   9.9100001E-02  -1.793000     -3.0000001E-04
 C   0.3839000      0.5257000     -5.0000002E-04
 C  -0.3838000     -0.5258000     -3.0000001E-04
 C   -1.808900     -0.4644000      5.0000002E-04
 C    1.808800      0.4643000     -6.0000003E-04
 C   -2.228200      -1.883900      7.9999998E-04
 C    2.228200       1.883900     -1.9999999E-04
 C    1.020000       2.662500      9.9999997E-05
 C   -1.020000      -2.662500      9.9999997E-05
 C   -2.382900      0.7625000      1.0000000E-03
 C    2.382900     -0.7625000     -7.9999998E-04
 C   -1.476000       2.042600      7.9999998E-04
 C    1.475900      -2.042600     -5.0000002E-04
 C   -3.462200      -2.501600      1.4000000E-03
 C    3.462200       2.501700      5.0000002E-04
 C   -3.829500      0.9145000      6.0000003E-04
 C    3.829500     -0.9144000      9.9999997E-05
 C    1.045800       4.042600      3.9999999E-04
 C   -1.045800      -4.042600      1.9999999E-04
 C   -3.488900      -3.900500      1.4000000E-03
 C    3.488800       3.900600      6.0000003E-04
 C    2.300100       4.658500      5.0000002E-04
 C   -2.300200      -4.658500      8.9999998E-04
 C   -4.524400      0.9868000       1.207600    
 C    4.523200     -0.9880000       1.207900    
 C   -4.521100      0.9897000      -1.208300    
 C    4.522400     -0.9885000      -1.208000    
 C   -5.911400       1.134600       1.205900    
 C    5.910100      -1.135800       1.207500    
 C   -5.908100       1.137600      -1.209900    
 C    5.909500      -1.136300      -1.208400    
 C   -6.603300       1.210100     -2.9000000E-03
 C    6.603400      -1.210000     -6.0000003E-04
 H   -4.390400      -1.943600      1.8000000E-03
 H    4.390400       1.943700      5.0000002E-04
 H   0.1435000       4.641500      5.0000002E-04
 H  -0.1435000      -4.641500     -1.9999999E-04
 H   -4.446300      -4.416300      1.9000000E-03
 H    4.446100       4.416300      8.9999998E-04
 H    2.363200       5.744000      6.9999998E-04
 H   -2.363400      -5.744100      1.1000000E-03
 H   -3.999400      0.9302000       2.158200    
 H    3.997100     -0.9324000       2.158000    
 H   -3.993700      0.9354000      -2.157600    
 H    3.996000     -0.9333000      -2.158000    
 H   -6.452700       1.191000       2.145800    
 H    6.450500      -1.193100       2.147900    
 H   -6.446900       1.196300      -2.151000    
 H    6.449300      -1.194100      -2.149100    
 H   -7.683300       1.325000     -4.1000000E-03
 H    7.683300      -1.324900     -7.9999998E-04


%chk=000080875-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000080875

0 1
O -2.042498 3.207867 -0.000870
O 2.042485 -3.207847 0.000399
N -0.136298 1.821350 -0.001202
N 0.136298 -1.821333 -0.000376
C 0.395941 0.547365 -0.000844
C -0.395943 -0.547347 -0.000704
C -1.820541 -0.494508 -0.000678
C 1.820539 0.494525 -0.000473
C -2.209040 -1.923413 -0.000277
C 2.209039 1.923429 -0.000529
C 0.993796 2.713529 -0.000776
C -0.993796 -2.713510 -0.000123
C -2.407448 0.780946 -0.000976
C 2.407442 -0.780931 -0.000138
C -1.566582 2.031367 -0.001720
C 1.566576 -2.031349 -0.000244
C -3.455520 -2.582011 -0.000082
C 3.455520 2.582025 -0.000320
C -3.892275 0.970563 -0.000616
C 3.892268 -0.970553 0.000337
C 1.008187 4.115218 -0.000807
C -1.008185 -4.115200 0.000220
C -3.479959 -3.997039 0.000242
C 3.479961 3.997053 -0.000299
C 2.276986 4.747957 -0.000540
C -2.276982 -4.747941 0.000391
C -4.606069 1.049422 1.222358
C 4.605588 -1.052663 1.223371
C -4.605707 1.057953 -1.223215
C 4.606174 -1.054696 -1.222216
C -6.010293 1.205538 1.222271
C 6.009810 -1.208755 1.223409
C -6.009928 1.213994 -1.222441
C 6.010395 -1.210775 -1.221317
C -6.716592 1.286670 0.000081
C 6.716584 -1.286673 0.001279
H -4.384446 -2.003813 -0.000175
H 4.384446 2.003826 -0.000090
H 0.072578 4.678764 -0.001064
H -0.072574 -4.678744 0.000334
H -4.441703 -4.520295 0.000378
H 4.441705 4.520309 -0.000093
H 2.325163 5.842298 -0.000555
H -2.325158 -5.842283 0.000649
H -4.059724 0.994054 2.170446
H 4.058875 -0.999823 2.171389
H -4.059076 1.009227 -2.171495
H 4.059910 -1.003437 -2.170578
H -6.549980 1.267748 2.173785
H 6.549132 -1.273456 2.174963
H -6.549348 1.282744 -2.173653
H 6.550179 -1.277040 -2.172502
H -7.805239 1.410577 0.000347
H 7.805229 -1.410585 0.001640


