%chk=000099955.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000099955

0 1
 O   -3.067200     -0.5072000      -1.175100    
 O    3.063100     -0.5060000      -1.175500    
 O   -2.989600      0.6449000      0.8314000    
 O    2.996400      0.6302000      0.8403000    
 N  -1.8000000E-03  -2.680900       1.056400    
 N   1.2000001E-03   1.436300       1.563100    
 C   1.1000000E-03 -0.1689000     -0.2500000    
 C   -1.279000     -0.8751000      0.2139000    
 C    1.277200     -0.8770000      0.2155000    
 C   -1.230500      -2.083700      0.8195000    
 C    1.226900      -2.089800      0.8109000    
 C   1.9000000E-03   1.255000      0.2277000    
 C   -2.541500     -0.1437000      1.9700000E-02
 C    2.542300     -0.1495000      2.3399999E-02
 C   -2.421800      -2.881600       1.276500    
 C    2.418500      -2.893200       1.256700    
 C   3.1000001E-03   2.273800     -0.7048000    
 C   3.8999999E-03   3.580700     -0.2300000    
 C   1.9000000E-03   2.719900       1.987300    
 C   3.3000000E-03   3.816600       1.140400    
 C   -4.306700      0.1251000      -1.510300    
 C    4.305100      0.1226000      -1.508800    
 C   -4.766600     -0.3772000      -2.862400    
 C    4.758900     -0.3711000      -2.866000    
 H   1.7000000E-03 -0.1979000      -1.349100    
 H  -2.6000000E-03  -3.589800       1.505800    
 H   -2.372000      -3.049100       2.357700    
 H   -2.438600      -3.855900      0.7763000    
 H   -3.373400      -2.386700       1.063000    
 H    2.374400      -3.066700       2.337200    
 H    3.370700      -2.400600       1.040600    
 H    2.429400      -3.864900      0.7512000    
 H   3.5999999E-03   2.082200      -1.772100    
 H   4.9000001E-03   4.413800     -0.9264000    
 H   1.3000000E-03   2.849900       3.064400    
 H   3.8999999E-03   4.826900       1.533100    
 H   -5.057700     -0.1175000     -0.7501000    
 H   -4.164200       1.211000      -1.547400    
 H    4.168200       1.209400      -1.536700    
 H    5.056600     -0.1300000     -0.7524000    
 H   -5.713900      8.6800002E-02  -3.150500    
 H   -4.017200     -0.1579000      -3.630100    
 H   -4.895700      -1.464400      -2.845800    
 H    5.707900      9.0400003E-02  -3.152800    
 H    4.882500      -1.459100      -2.858500    
 H    4.008700     -0.1417000      -3.629900    


%chk=000099955-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000099955

0 1
O -2.290768 -0.377991 -1.527064
O 2.289328 -0.381291 -1.526529
O -3.686110 -1.523338 -0.060919
O 3.684811 -1.527230 -0.061035
N -0.001851 -2.223820 2.215485
N 0.003444 1.152702 1.649868
C 0.000097 -0.601915 -0.100954
C -1.272967 -1.289351 0.416611
C 1.271663 -1.291496 0.417191
C -1.240950 -1.987266 1.611433
C 1.237963 -1.989680 1.611884
C 0.001344 0.884269 0.306135
C -2.522251 -1.112769 -0.341922
C 2.521087 -1.115924 -0.341391
C -2.410686 -2.575331 2.367886
C 2.405947 -2.580184 2.369139
C 0.000589 1.914847 -0.665737
C 0.001815 3.262035 -0.243829
C 0.004555 2.457137 2.045111
C 0.003781 3.544653 1.141626
C -3.489744 -0.142399 -2.377343
C 3.488016 -0.145850 -2.377213
C -3.027342 0.692169 -3.568591
C 3.024758 0.687005 -3.569330
H 0.000369 -0.634464 -1.199982
H -0.002483 -2.692639 3.122469
H -2.504661 -2.082797 3.355855
H -2.263215 -3.658721 2.542040
H -3.344156 -2.427002 1.809841
H 2.502631 -2.085179 3.355625
H 3.339639 -2.436752 1.810233
H 2.254295 -3.662462 2.546545
H -0.000930 1.647426 -1.726302
H 0.001297 4.075400 -0.978009
H 0.006098 2.629720 3.128306
H 0.004739 4.573836 1.514895
H -3.903639 -1.121087 -2.682360
H -4.255269 0.374691 -1.770788
H 4.253169 0.372608 -1.771339
H 3.902675 -1.124547 -2.681126
H -3.882642 0.896639 -4.238474
H -2.611350 1.657873 -3.232539
H -2.252708 0.159584 -4.147134
H 3.879854 0.891777 -4.239381
H 2.250736 0.152959 -4.147340
H 2.607620 1.652551 -3.234249


