%chk=000064047.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000064047

0 1
 O    2.955700     -0.9199000      4.1800000E-02
 O   0.2863000       2.259600     -0.1209000    
 N   0.7287000     -5.3199999E-02 -5.5100001E-02
 N   -1.101400      -1.569900      4.8099998E-02
 N    4.278700     -0.4973000      8.5600004E-02
 C   0.1731000      -1.334200     -1.4700000E-02
 C   -1.549200      0.8303000     -6.1799999E-02
 C   -1.989300     -0.4896000      3.6800001E-02
 C  -9.4999999E-02   1.091500     -0.1026000    
 C    1.065500      -2.555300     -0.1046000    
 C    2.148300      0.1658000     -5.2000000E-03
 C   -3.364600     -0.7422000      0.1013000    
 C   -2.465300       1.888400     -9.5500000E-02
 C   -4.282400      0.3087000      6.8400003E-02
 C   -3.832400       1.623000     -3.1099999E-02
 C   0.2231000      -3.806200     -9.9500000E-02
 C    2.893400       1.308600      5.9000002E-03
 C    4.216300      0.8371000      6.3100003E-02
 C   -5.744600      2.4200000E-02  0.1395000    
 C    5.455100       1.630700      0.1009000    
 H    1.653900      -2.524500      -1.026900    
 H    1.715800      -2.603900      0.7741000    
 H   -3.718200      -1.768600      0.1761000    
 H   -2.134900       2.920800     -0.1682000    
 H   -4.536300       2.450700     -5.5599999E-02
 H   0.8703000      -4.688300     -0.1589000    
 H  -0.4571000      -3.847300     -0.9576000    
 H  -0.3685000      -3.902300      0.8179000    
 H    2.584900       2.341500     -2.0199999E-02
 H   -5.985100     -0.9257000     -0.3502000    
 H   -6.066900     -2.7100001E-02   1.184200    
 H   -6.325500      0.8017000     -0.3680000    
 H    6.017700       1.426700       1.017800    
 H    6.094300       1.391800     -0.7555000    
 H    5.242300       2.704300      7.0400000E-02


%chk=000064047-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000064047

0 1
O 2.744808 -0.548457 1.204372
O 0.356265 2.320816 0.025163
N 0.689566 -0.024596 0.072655
N -1.165812 -1.561112 -0.033271
N 4.155366 -0.130352 1.203528
C 0.133389 -1.344931 -0.028701
C -1.593417 0.877082 0.091031
C -2.054323 -0.474489 0.060875
C -0.155521 1.168773 0.058411
C 1.099974 -2.507708 -0.173840
C 2.082239 0.178483 0.199231
C -3.449485 -0.737756 0.100831
C -2.533378 1.940211 0.153563
C -4.385210 0.312757 0.172454
C -3.905724 1.660621 0.196980
C 0.412609 -3.815006 -0.606852
C 2.966786 1.045107 -0.411295
C 4.233200 0.821358 0.238582
C -5.875600 0.035715 0.221720
C 5.549966 1.494506 -0.026371
H 1.887770 -2.225512 -0.901358
H 1.629835 -2.655761 0.785818
H -3.771275 -1.783691 0.071448
H -2.155685 2.967609 0.171235
H -4.628180 2.483607 0.250414
H 1.165832 -4.618613 -0.694356
H -0.095717 -3.697950 -1.579107
H -0.350611 -4.119968 0.127039
H 2.742762 1.764128 -1.192540
H -6.091681 -1.043782 0.161413
H -6.319640 0.419048 1.159806
H -6.401883 0.536290 -0.612501
H 5.475755 2.581573 0.155372
H 6.330012 1.081899 0.633651
H 5.863706 1.350003 -1.075600


