%chk=000002249.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000002249

0 1
 O   -1.082800      -1.537700     -0.3658000    
 O   -3.574800      -2.755500     -0.5623000    
 O    4.977500     -0.8556000     -0.5231000    
 N   -3.576700      0.7576000      0.6077000    
 N    6.251900      0.9135000      0.2042000    
 C   -3.796400     -0.3845000     -0.2692000    
 C   -3.359600      -1.700200      0.3793000    
 C   -3.947400       2.001100     -5.3900000E-02
 C   -1.890100      -1.711300      0.7946000    
 C   -3.751800       3.167100      0.9099000    
 C   -3.119800       2.193000      -1.321700    
 C   0.1138000     -0.8953000     -0.1923000    
 C    2.545600      0.4089000      0.1578000    
 C   0.6505000     -0.1462000      -1.234000    
 C   0.7823000     -0.9980000       1.022900    
 C    1.870000      0.5077000      -1.058500    
 C    2.001800     -0.3440000       1.198500    
 C    3.848900       1.108600      0.3460000    
 C    5.056800      0.2706000     -4.0100001E-02
 H   -3.247500     -0.3029000      -1.212900    
 H   -4.857600     -0.4583000     -0.5404000    
 H   -3.980000      -1.910400       1.258700    
 H   -5.010400       1.976000     -0.3264000    
 H   -4.116900      0.6419000       1.464500    
 H   -1.728600     -0.9297000       1.546700    
 H   -1.644400      -2.687100       1.230100    
 H   -4.359600       3.039200       1.812600    
 H   -4.050700       4.111600      0.4423000    
 H   -2.704100       3.261800       1.217700    
 H   -3.225600       3.219700      -1.691900    
 H   -2.051800       2.024100      -1.141700    
 H   -3.446700       1.543500      -2.139600    
 H   -4.522300      -2.764000     -0.7809000    
 H   0.1269000     -6.6100001E-02  -2.182400    
 H   0.4103000      -1.599700       1.846600    
 H    2.283800       1.089900      -1.877700    
 H    2.523100     -0.4356000       2.147800    
 H    3.960500       1.416700       1.393700    
 H    3.869000       2.032500     -0.2464000    
 H    7.137800      0.4673000     -9.1000004E-03
 H    6.294100       1.846400      0.6018000    


%chk=000002249-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000002249

0 1
O -0.929165 -0.693325 -0.237861
O -2.797688 -2.938540 -0.172545
O 6.811741 0.646739 -0.094047
N -4.189799 0.514863 0.507730
N 5.197080 -1.004090 -0.345112
C -3.808816 -0.654829 -0.304674
C -3.014587 -1.673833 0.546898
C -4.361880 1.810315 -0.210206
C -1.641178 -1.156283 0.964480
C -5.170468 2.767951 0.688358
C -2.986919 2.417127 -0.566445
C 0.373521 -0.211926 -0.075981
C 3.036572 0.817300 0.025621
C 1.030591 0.188779 -1.267868
C 1.044395 -0.099054 1.168551
C 2.341567 0.695468 -1.210444
C 2.361694 0.412150 1.203704
C 4.461202 1.338491 0.073527
C 5.594123 0.301159 -0.128434
H -3.164977 -0.328246 -1.137382
H -4.689262 -1.180695 -0.756433
H -3.582546 -1.869021 1.486650
H -4.934561 1.661776 -1.159759
H -4.991044 0.316067 1.121037
H -1.779247 -0.310321 1.665454
H -1.071129 -1.973918 1.447333
H -6.185272 2.374304 0.892196
H -5.281017 3.754454 0.205221
H -4.650921 2.911047 1.654055
H -3.112249 3.329061 -1.179390
H -2.441277 2.680209 0.357737
H -2.360626 1.705433 -1.132830
H -3.639976 -3.200718 -0.624105
H 0.496757 0.094267 -2.218543
H 0.556664 -0.394182 2.101809
H 2.836019 1.006697 -2.138788
H 2.871698 0.499559 2.171034
H 4.675719 1.825084 1.042752
H 4.629130 2.113163 -0.697690
H 5.914459 -1.715058 -0.483287
H 4.210674 -1.260826 -0.369224


