%chk=000084818.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000084818

2 1
 O    5.580700      -1.394200      0.5912000    
 O   -5.580600      -1.394000     -0.5915000    
 N    7.192600      0.7255000      0.1289000    
 N   -7.192500      0.7256000     -0.1288000    
 C   0.7223000     -0.3556000      4.0399998E-02
 C  -0.7224000     -0.3556000     -4.0500000E-02
 C    5.738000      0.9228000     -2.0300001E-02
 C   -5.738000      0.9228000      2.0500001E-02
 C    3.507700     -0.3567000      0.1975000    
 C   -3.507700     -0.3567000     -0.1976000    
 C    4.959600     -0.3579000      0.2798000    
 C   -4.959600     -0.3579000     -0.2798000    
 C    1.436600      0.8109000     -0.2326000    
 C   -1.436600      0.8109000      0.2327000    
 C    1.400600      -1.522700      0.3920000    
 C   -1.400600      -1.522600     -0.3922000    
 C    2.829300      0.8103000     -0.1541000    
 C   -2.829300      0.8103000      0.1543000    
 C    2.793300      -1.523300      0.4705000    
 C   -2.793300      -1.523200     -0.4708000    
 C    7.888200      0.3299000     -0.9368000    
 C   -7.888200      0.3297000      0.9369000    
 C    9.257500      0.1351000     -0.8250000    
 C   -9.257500      0.1350000      0.8250000    
 C    7.740100      0.9510000       1.322800    
 C   -7.740000      0.9512000      -1.322600    
 C    9.868300      0.3593000      0.4052000    
 C   -9.868300      0.3594000     -0.4052000    
 C    9.105300      0.7716000       1.493400    
 C   -9.105400      0.7719000      -1.493200    
 C    10.05760     -0.3062000      -2.000400    
 C   -10.05760     -0.3067000       2.000300    
 H    5.438500       1.719100      0.6701000    
 H    5.549300       1.248500      -1.049200    
 H   -5.438500       1.719300     -0.6697000    
 H   -5.549300       1.248300       1.049500    
 H   0.9534000       1.734400     -0.5399000    
 H  -0.9533000       1.734200      0.5402000    
 H   0.8857000      -2.445900      0.6433000    
 H  -0.8857000      -2.445700     -0.6437000    
 H    3.344400       1.738100     -0.3818000    
 H   -3.344500       1.738100      0.3821000    
 H    3.298300      -2.443300      0.7532000    
 H   -3.298400      -2.443100     -0.7535000    
 H    7.344000      0.1707000      -1.860100    
 H   -7.343600      0.1675000       1.859400    
 H    7.090500       1.264500       2.130900    
 H   -7.090500       1.264800      -2.130700    
 H    10.93870      0.2169000      0.5267000    
 H   -10.93830      0.2140000     -0.5276000    
 H    9.569100      0.9486000       2.457900    
 H   -9.569000      0.9485000      -2.457800    
 H    10.85750     -0.9893000      -1.694900    
 H    9.436600     -0.8426000      -2.725900    
 H    10.50430      0.5600000      -2.498300    
 H   -9.572900     -2.3100000E-02   2.940800    
 H   -11.04890      0.1592000       1.996400    
 H   -10.17900      -1.394300       1.985800    


%chk=000084818-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000084818

2 1
O 5.719198 -1.263819 0.311355
O -5.715922 -1.282999 -0.290799
N 7.345037 0.888492 -0.108147
N -7.347011 0.872520 0.092791
C 0.744752 -0.116164 0.005298
C -0.743992 -0.118057 -0.007768
C 5.892513 1.077211 -0.357809
C -5.894262 1.069639 0.335121
C 3.605147 -0.127997 0.018293
C -3.604399 -0.136928 -0.019800
C 5.087235 -0.208708 0.031236
C -5.086367 -0.221365 -0.030808
C 1.482167 1.050928 -0.346795
C -1.484115 1.054500 0.319538
C 1.470359 -1.289241 0.366952
C -1.466891 -1.300268 -0.344179
C 2.888013 1.048241 -0.342228
C -2.889949 1.048348 0.315536
C 2.872655 -1.297020 0.374554
C -2.869190 -1.311476 -0.351415
C 8.028435 -0.044104 -0.857571
C -8.026258 -0.046470 0.862496
C 9.390134 -0.322969 -0.625327
C -9.388025 -0.332514 0.639939
C 7.962747 1.563146 0.919858
C -7.968718 1.524712 -0.947128
C 10.032370 0.387007 0.425333
C -10.034324 0.354100 -0.423770
C 9.314970 1.327580 1.196500
C -9.321059 1.280341 -1.215720
C 10.119978 -1.347687 -1.460508
C -10.115086 -1.337638 1.501001
H 5.544880 1.947386 0.221631
H 5.732943 1.297797 -1.429222
H -5.550383 1.929268 -0.262061
H -5.732675 1.311748 1.401543
H 0.952164 1.955771 -0.661029
H -0.956230 1.967117 0.614222
H 0.931614 -2.191027 0.674383
H -0.926097 -2.207213 -0.632228
H 3.409766 1.965710 -0.636825
H -3.413617 1.970709 0.590755
H 3.426882 -2.196965 0.659273
H -3.421293 -2.218581 -0.616899
H 7.462111 -0.550347 -1.640778
H -7.456393 -0.535934 1.653771
H 7.357856 2.274730 1.484744
H -7.366848 2.225820 -1.528113
H 11.090199 0.200737 0.637861
H -11.092058 0.160478 -0.630176
H 9.793372 1.878161 2.009509
H -9.802548 1.812649 -2.039012
H 10.462387 -2.189506 -0.831613
H 9.485159 -1.762644 -2.259492
H 11.017956 -0.908787 -1.930691
H -9.460965 -1.777344 2.270609
H -10.976052 -0.870182 2.012008
H -10.513774 -2.163593 0.885006


