%chk=000049146.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000049146

0 1
 O  -0.7175000      4.0899999E-02   2.378500    
 O   0.3452000      -1.531500      -2.000300    
 O   -2.468000       2.016300      -1.450200    
 N   -1.534200       1.111900      0.4876000    
 N   -1.054800      0.2425000      -1.656600    
 C   0.1070000     -0.7359000      0.2639000    
 C   3.7300002E-02  -2.182300      0.7777000    
 C  -0.7535000      0.1520000       1.148900    
 C  -0.1862000     -0.7387000      -1.220700    
 C    1.505100     -0.1986000      0.4052000    
 C   -1.360300      -2.751500      0.5648000    
 C    1.086500      -3.041200      8.2099997E-02
 C   -1.732800       1.191000     -0.9010000    
 C    2.056000      0.6812000     -0.4434000    
 C   -2.265500       2.055100       1.328400    
 C    3.452100       1.212000     -0.3044000    
 C    3.483600       2.476800      0.5396000    
 H   0.2529000      -2.208800       1.854900    
 H    2.091100     -0.5284000       1.261600    
 H   -1.636200      -2.818400     -0.4925000    
 H   -1.416000      -3.767000      0.9736000    
 H   -2.124800      -2.158900       1.077400    
 H   0.7519000      -3.451500     -0.8755000    
 H    1.267900      -3.927200      0.7057000    
 H    2.065200      -2.573800     -4.9899999E-02
 H   -1.224100      0.2717000      -2.658400    
 H    1.504100       1.087400      -1.284900    
 H   -3.143200       1.540600       1.732200    
 H   -2.591900       2.932900      0.7649000    
 H   -1.635800       2.379200       2.162800    
 H    3.859500       1.415500      -1.301200    
 H    4.103200      0.4558000      0.1506000    
 H    4.508000       2.855500      0.6136000    
 H    3.119800       2.287100       1.555200    
 H    2.863500       3.263500      9.6600004E-02


%chk=000049146-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000049146

0 1
O -0.734590 0.052664 2.476619
O 0.431759 -0.865680 -2.168699
O -3.119984 1.875109 -1.090690
N -1.907674 0.982704 0.718572
N -1.327362 0.465235 -1.530041
C 0.104194 -0.544197 0.256778
C 0.034641 -2.099239 0.632531
C -0.870915 0.171448 1.228824
C -0.222082 -0.347365 -1.224077
C 1.493875 0.023453 0.606218
C -1.360839 -2.687358 0.311457
C 1.154955 -2.940601 -0.010949
C -2.182059 1.158854 -0.655818
C 2.450992 0.462725 -0.248252
C -2.774106 1.681578 1.699424
C 3.796301 0.998663 0.195817
C 4.043850 2.448025 -0.298542
H 0.174019 -2.106819 1.731634
H 1.674681 0.042018 1.690903
H -1.549749 -2.702671 -0.778387
H -1.418384 -3.730456 0.670257
H -2.177254 -2.124875 0.802295
H 1.057898 -2.973013 -1.108910
H 1.098162 -3.974541 0.378212
H 2.153762 -2.538028 0.228773
H -1.534485 0.594071 -2.526537
H 2.280313 0.428342 -1.333602
H -3.309976 0.944994 2.319710
H -3.487878 2.300802 1.138449
H -2.152741 2.305854 2.360712
H 4.597436 0.346112 -0.209011
H 3.877117 0.958027 1.298775
H 5.046605 2.800703 0.004220
H 3.292953 3.141110 0.121170
H 3.981665 2.507553 -1.401035


