%chk=000083360.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000083360

0 1
 O   -2.877700       2.351700      6.2000002E-03
 O   -3.039600      -2.263300     -1.0800000E-02
 N  -0.9180000       1.147600      8.6000003E-03
 N   -2.984500      4.8599999E-02 -2.9000000E-03
 C  -0.2529000     -5.7700001E-02  8.5000005E-03
 C    1.222400     -3.3199999E-02  3.7000000E-03
 C  -0.9240000      -1.219200     -1.3000000E-03
 C    1.915600     -8.9999996E-03  -1.206700    
 C    1.924200     -3.4100000E-02   1.209200    
 C   -2.299800       1.264200      3.8000001E-03
 C   -2.406700      -1.211300     -4.9999999E-03
 C    3.310200      1.3900000E-02  -1.211500    
 C    3.318900     -1.1100000E-02   1.204300    
 C    4.011900      1.3000000E-02 -6.0000001E-03
 H  -0.3623000       1.998500      1.2500000E-02
 H  -0.4270000      -2.183300     -6.6999998E-03
 H    1.383000     -7.3000002E-03  -2.154700    
 H    1.398300     -5.2099999E-02   2.160800    
 H   -3.999700      9.1899998E-02 -6.0000001E-03
 H    3.849900      3.2800000E-02  -2.153800    
 H    3.865400     -1.1700000E-02   2.142800    
 H    5.097700      3.0999999E-02 -9.8000001E-03


%chk=000083360-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000083360

0 1
O -2.886280 2.127543 -1.137691
O -3.199985 -2.019421 1.029712
N -0.924575 1.008761 -0.520044
N -3.014007 0.039721 -0.060310
C -0.251961 -0.081778 0.046072
C 1.233296 -0.039045 0.023051
C -0.984868 -1.125917 0.578795
C 1.930683 0.586113 -1.047731
C 1.980987 -0.623828 1.080682
C -2.328262 1.127505 -0.613814
C -2.445051 -1.118380 0.563759
C 3.341009 0.623141 -1.058879
C 3.390138 -0.586646 1.065943
C 4.075926 0.038503 -0.002010
H -0.402516 1.820829 -0.855168
H -0.496262 -2.011829 0.983597
H 1.379599 1.001954 -1.900122
H 1.455605 -1.080871 1.925852
H -4.037038 0.082300 -0.101737
H 3.865119 1.097416 -1.895304
H 3.953085 -1.035105 1.891311
H 5.170658 0.068934 -0.010765


