%chk=000030433.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000030433

0 1
 O   -2.412300      -1.578000      0.7497000    
 O  -0.8049000       1.889200     -0.6834000    
 O    5.089600     -0.2187000      0.3470000    
 N  -0.4854000     -0.3550000     -4.3800000E-02
 C   -1.184000      -1.649300      1.6000000E-03
 C   0.9564000     -0.3195000      5.7900000E-02
 C   -1.236200      0.7999000     -0.3172000    
 C   -2.696600      0.6532000     -0.1351000    
 C   -3.204700     -0.5179000      0.4194000    
 C   -1.453900      -2.232900      -1.388900    
 C    1.590000      0.8362000      0.5045000    
 C    1.701500      -1.441600     -0.2930000    
 C   -3.562800       1.704400     -0.4555000    
 C   -4.570200     -0.6370000      0.6824000    
 C    2.981100      0.8705000      0.6010000    
 C    3.092600      -1.407400     -0.1963000    
 C    3.732500     -0.2513000      0.2508000    
 C   -4.931000       1.577100     -0.2106000    
 C   -5.433700      0.4096000      0.3620000    
 C    5.723800       1.045600      0.1592000    
 C    7.108200      0.8229000     -0.4116000    
 H  -0.5745000      -2.358700      0.5717000    
 H  -0.5376000      -2.369000      -1.968700    
 H   -1.957500      -3.201500      -1.299200    
 H   -2.117500      -1.589200      -1.976600    
 H    1.039600       1.712100      0.8329000    
 H    1.255500      -2.361000     -0.6539000    
 H   -3.193300       2.630900     -0.8864000    
 H   -4.969100      -1.545100       1.126500    
 H    3.437800       1.776400      0.9885000    
 H    3.673400      -2.283500     -0.4721000    
 H   -5.604100       2.392800     -0.4583000    
 H   -6.497600      0.3156000      0.5586000    
 H    5.173600       1.677100     -0.5497000    
 H    5.799100       1.557400       1.124900    
 H    7.628800       1.773400     -0.5588000    
 H    7.704400      0.1940000      0.2579000    
 H    7.050100      0.2993000      -1.371600    


%chk=000030433-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000030433

0 1
O -2.307138 -1.537141 0.890110
O -0.912979 1.899949 -0.983177
O 5.158898 -0.184443 -0.135971
N -0.527449 -0.315079 -0.259866
C -1.169878 -1.639326 -0.057611
C 0.912864 -0.237008 -0.252917
C -1.357048 0.793338 -0.549814
C -2.799451 0.594357 -0.213562
C -3.219786 -0.520852 0.558856
C -1.645254 -2.290960 -1.367847
C 1.578567 0.953965 0.131334
C 1.698014 -1.371394 -0.599436
C -3.745230 1.599863 -0.533508
C -4.539944 -0.622007 1.043872
C 2.985856 1.012283 0.178245
C 3.101800 -1.322500 -0.540814
C 3.757731 -0.129993 -0.153171
C -5.075339 1.497447 -0.083037
C -5.465495 0.390870 0.715760
C 5.889447 1.040997 0.248411
C 7.377057 0.710141 0.169230
H -0.454689 -2.283920 0.474716
H -0.796650 -2.412713 -2.063027
H -2.079945 -3.282639 -1.156461
H -2.406580 -1.669140 -1.868284
H 0.997248 1.843550 0.378342
H 1.228117 -2.301000 -0.935524
H -3.397363 2.460833 -1.113514
H -4.822904 -1.486856 1.651039
H 3.462204 1.950738 0.475828
H 3.707059 -2.194732 -0.805077
H -5.803200 2.274987 -0.335577
H -6.496499 0.314629 1.078372
H 5.620977 1.862636 -0.446993
H 5.596215 1.336823 1.276733
H 7.978148 1.592967 0.453308
H 7.627966 -0.119119 0.852471
H 7.655750 0.411451 -0.855638


