%chk=000049598.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000049598

0 1
 O   -4.260400     -0.5918000      -1.111800    
 O   0.2779000      -1.079500      0.6464000    
 O   0.1764000       3.669500      0.3471000    
 O    4.086200      -1.224700     -0.7963000    
 N   -1.993200      0.2428000      0.3930000    
 C   -1.165900       1.265000       1.030600    
 C   -3.339800      0.2201000      0.9807000    
 C   -2.080000      0.4710000      -1.056100    
 C   -4.187300     -0.8455000      0.2916000    
 C   -2.957900     -0.5997000      -1.697500    
 C   0.2309000       1.277100      0.4966000    
 C   0.9284000      8.2500003E-02  0.3152000    
 C   0.8399000       2.491200      0.1778000    
 C    2.230200      0.1051000     -0.1836000    
 C    2.143000       2.511600     -0.3214000    
 C    2.843400       1.318500     -0.5040000    
 C    2.942900      -1.169000     -0.3648000    
 C   0.9477000      -2.280500      0.4771000    
 C    2.199000      -2.388100      7.1000000E-03
 C   0.1386000      -3.475500      0.8722000    
 H   -1.099000       1.067700       2.109000    
 H   -1.647600       2.244900      0.9251000    
 H   -3.823100       1.199100      0.8662000    
 H   -3.283600     -8.2000000E-03   2.051200    
 H   -1.104300      0.4277000      -1.549800    
 H   -2.513500       1.459800      -1.257200    
 H   -3.786900      -1.852500      0.4612000    
 H   -5.207800     -0.8238000      0.6874000    
 H   -3.074100     -0.3957000      -2.766700    
 H   -2.516200      -1.598800      -1.596100    
 H    2.626200       3.452200     -0.5730000    
 H    3.856800       1.353900     -0.8934000    
 H    2.695600      -3.343800     -0.1136000    
 H   0.7547000       4.402100      7.3500000E-02
 H   0.6851000      -4.412900      0.7256000    
 H  -0.7783000      -3.523500      0.2758000    
 H  -0.1404000      -3.409800       1.928700    


%chk=000049598-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000049598

0 1
O -4.663833 0.008299 -1.264056
O 0.574118 -1.289640 0.962003
O -0.074820 3.359005 -0.022233
O 4.383965 -1.324508 -0.763036
N -2.139815 0.306981 0.139233
C -1.152756 0.940780 1.061064
C -3.375564 -0.100228 0.856045
C -2.476691 1.163834 -1.026741
C -4.317991 -0.836680 -0.109632
C -3.430949 0.410251 -1.965245
C 0.233108 1.025116 0.447124
C 1.082517 -0.108437 0.384543
C 0.752536 2.226072 -0.090835
C 2.377566 -0.083141 -0.197623
C 2.048019 2.293400 -0.678772
C 2.844332 1.144034 -0.733197
C 3.218863 -1.308372 -0.242187
C 1.347784 -2.460099 0.930958
C 2.597587 -2.492593 0.363889
C 0.621367 -3.600348 1.581571
H -1.101656 0.304490 1.962969
H -1.478018 1.959291 1.373560
H -3.914808 0.781100 1.288092
H -3.101074 -0.775596 1.689153
H -1.548792 1.415398 -1.571319
H -2.952692 2.122874 -0.703473
H -3.829816 -1.770786 -0.462537
H -5.277195 -1.079363 0.377378
H -3.762529 1.053395 -2.797279
H -2.921161 -0.491008 -2.368677
H 2.416462 3.242827 -1.087482
H 3.843282 1.153862 -1.180392
H 3.163717 -3.426917 0.359273
H 0.375726 4.148240 -0.412384
H 1.228983 -4.517480 1.543169
H -0.341512 -3.787609 1.072512
H 0.395340 -3.367947 2.638362


