%chk=000028592.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000028592

0 1
 O   0.7988000       1.409000      0.2788000    
 O   -2.716100      -1.794400      0.4718000    
 O    3.580800      -1.484800     -0.4221000    
 N   -3.095500      0.7275000     -0.2078000    
 C  -0.9429000     -0.1832000      0.3740000    
 C   -1.916100      0.9234000      0.6284000    
 C   0.4136000      9.4099998E-02  0.2030000    
 C    1.312400     -0.9452000     -3.3700000E-02
 C   -1.395300      -1.501400      0.3073000    
 C   0.8635000      -2.266300     -0.1010000    
 C  -0.4939000      -2.540300      7.0500001E-02
 C    2.737300     -0.6247000     -0.2107000    
 C    2.140200       1.713100      0.1117000    
 C   -2.727900      0.7310000      -1.624600    
 C   -4.094500       1.762800      6.0600001E-02
 C    3.097900      0.8034000     -0.1207000    
 C    2.437700       3.175700      0.2146000    
 H   -2.190800      0.8890000       1.690700    
 H   -1.485300       1.914500      0.4428000    
 H    1.550300      -3.087600     -0.2847000    
 H  -0.8365000      -3.570500      1.6700000E-02
 H   -2.211900       1.654700      -1.913400    
 H   -3.629400      0.6502000      -2.244200    
 H   -2.104900     -0.1184000      -1.920000    
 H   -3.724100       2.767600     -0.1733000    
 H   -4.395500       1.742300       1.114000    
 H   -5.001800       1.583800     -0.5270000    
 H    4.139700       1.074000     -0.2471000    
 H    3.502400       3.392400      7.9000004E-02
 H    2.140200       3.553100       1.198300    
 H    1.881900       3.728600     -0.5497000    
 H   -2.841000      -2.755400      0.3904000    


%chk=000028592-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000028592

0 1
O 0.680620 1.294224 0.163946
O -2.690298 -2.027968 0.933163
O 3.630779 -1.585084 -0.541419
N -2.915885 0.948476 -0.459470
C -1.021178 -0.362372 0.506302
C -2.065308 0.715410 0.740008
C 0.334325 -0.076215 0.214848
C 1.316179 -1.077898 -0.019966
C -1.366681 -1.734889 0.585839
C 0.910793 -2.434076 0.049520
C -0.414574 -2.767534 0.353077
C 2.724164 -0.712689 -0.324199
C 2.004727 1.663528 -0.118819
C -2.190732 1.574888 -1.580248
C -4.158300 1.665614 -0.116597
C 2.985229 0.732119 -0.353018
C 2.155426 3.156700 -0.122412
H -2.736011 0.374746 1.548648
H -1.563419 1.653083 1.079659
H 1.671724 -3.198971 -0.135212
H -0.720547 -3.819387 0.417859
H -1.802030 2.598352 -1.340959
H -2.865194 1.655771 -2.451640
H -1.332356 0.946492 -1.872578
H -3.986245 2.699934 0.280029
H -4.718314 1.094085 0.644878
H -4.794157 1.750941 -1.016130
H 4.003502 1.063703 -0.570206
H 3.194465 3.438833 -0.351856
H 1.880276 3.579158 0.861231
H 1.486948 3.614152 -0.874557
H -2.844629 -3.005126 0.942877


