%chk=000002163.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000002163

-1 1
 O   -1.838900       1.228700      -2.018800    
 O  -0.1182000      0.4511000       2.225100    
 O   -2.669800      -2.652100      0.1526000    
 N   -2.227500     -0.7226000     -0.8678000    
 N   -1.217700      -1.241800       1.169800    
 C  -0.3871000      0.6860000     -0.1533000    
 C   0.8737000      0.1049000     -0.8103000    
 C    2.116000      0.3572000      4.7300000E-02
 C  -0.2018000       2.194400      6.9399998E-02
 C    3.398600     -0.2683000     -0.5316000    
 C   -1.556300      0.4657000      -1.097600    
 C  -0.5804000     -2.1600001E-02   1.187600    
 C   -1.394900       2.789400      0.7853000    
 C    3.204700      -1.776000     -0.7123000    
 C    4.623700     -7.6000001E-03  0.3460000    
 C   -2.024200      -1.587400      0.2085000    
 H   0.7249000     -0.9693000     -0.9651000    
 H    1.023100      0.5414000      -1.806600    
 H    2.315700       1.429200      0.1348000    
 H    1.986700     -3.3500001E-02   1.061400    
 H  -5.1899999E-02   2.716800     -0.8836000    
 H   0.6647000       2.425200      0.6959000    
 H    3.592200      0.1735000      -1.517400    
 H   -2.328500       2.642700      0.2341000    
 H   -1.534400       2.400600       1.797100    
 H   -1.254300       3.872000      0.8845000    
 H    2.508200      -2.002200      -1.524800    
 H    2.837400      -2.247700      0.2055000    
 H    4.153100      -2.257300     -0.9772000    
 H    4.501200     -0.4515000       1.339900    
 H    5.526800     -0.4303000     -0.1066000    
 H    4.785100       1.067900      0.4732000    
 H   -2.945700     -0.9827000      -1.537900    


%chk=000002163-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000002163

-1 1
O -1.766023 1.405830 -2.065712
O -0.105796 0.258087 2.285608
O -2.644153 -2.763179 -0.240689
N -2.218076 -0.633096 -1.047635
N -1.292835 -1.353441 1.088493
C -0.417427 0.741999 -0.093639
C 0.888125 0.204149 -0.807165
C 2.191759 0.375277 0.005886
C -0.263936 2.240748 0.270296
C 3.389228 -0.425077 -0.577716
C -1.530984 0.560991 -1.139074
C -0.637890 -0.144154 1.190338
C -1.534130 2.863699 0.887447
C 3.237693 -1.947026 -0.334611
C 4.722080 0.082404 0.024686
C -2.035148 -1.664105 -0.013563
H 0.731100 -0.867326 -1.038948
H 0.984922 0.738548 -1.775400
H 2.465769 1.449262 0.031038
H 2.020210 0.069669 1.056273
H 0.014723 2.793834 -0.648095
H 0.559494 2.320945 1.000532
H 3.419858 -0.250185 -1.676331
H -2.382041 2.817326 0.180250
H -1.806858 2.328057 1.814086
H -1.364028 3.927487 1.144150
H 2.293111 -2.339153 -0.751456
H 3.230110 -2.161401 0.751339
H 4.073816 -2.511191 -0.792374
H 4.713858 -0.033765 1.126047
H 5.588284 -0.483515 -0.370712
H 4.879198 1.155060 -0.199071
H -2.899812 -0.861960 -1.777176


