%chk=000003446.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000003446

0 1
 O    2.357100       1.753300     -0.2688000    
 O    3.068700     -0.2795000      0.4674000    
 N   0.4600000      -2.448900      0.4608000    
 C  -0.1454000     -0.1812000     -0.2028000    
 C   -1.285600     -0.6919000      -1.113000    
 C  -0.4938000       1.224600      0.3371000    
 C   -2.665700     -0.6125000     -0.4607000    
 C   -1.875300       1.300700      0.9870000    
 C   -2.966600      0.7912000      5.2400000E-02
 C    1.152200     -9.2699997E-02  -1.027900    
 C   9.9200003E-02  -1.162200      0.9600000    
 C    2.295200      0.3991000     -0.1915000    
 H   -1.111900      -1.703400      -1.492700    
 H   -1.315900     -6.0100000E-02  -2.012800    
 H  -0.4618000       1.954300     -0.4831000    
 H   0.2363000       1.553300       1.085800    
 H   -2.738000      -1.333000      0.3617000    
 H   -3.429300     -0.9001000      -1.193000    
 H   -2.089800       2.339400       1.264300    
 H   -1.886900      0.7225000       1.918000    
 H   -3.063700       1.476100     -0.7992000    
 H   -3.930400      0.7948000      0.5737000    
 H    1.443300      -1.035600      -1.503200    
 H    1.021500      0.5989000      -1.872200    
 H  -0.8002000      -1.273800       1.574100    
 H   0.8659000     -0.7979000       1.651600    
 H    1.334400      -2.442700     -5.5300001E-02
 H  -0.2543000      -2.861600     -0.1305000    
 H    3.092900       2.116900      0.2683000    


%chk=000003446-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000003446

0 1
O 2.682113 1.702805 -0.362828
O 3.083613 -0.478323 0.305468
N 0.649153 -2.452121 0.587035
C -0.189603 -0.123369 -0.204847
C -1.319009 -0.619926 -1.159336
C -0.578491 1.262103 0.392069
C -2.727858 -0.592190 -0.519895
C -1.986269 1.283610 1.037956
C -3.066419 0.810124 0.037850
C 1.102647 0.016250 -1.090369
C 0.063114 -1.163226 0.954233
C 2.362095 0.336140 -0.321009
H -1.077046 -1.645920 -1.507699
H -1.329784 0.022760 -2.065238
H -0.553607 2.019371 -0.419364
H 0.183337 1.577517 1.132695
H -2.790013 -1.335541 0.300226
H -3.479605 -0.895984 -1.274316
H -2.212424 2.310231 1.386137
H -2.007448 0.636630 1.937672
H -3.124886 1.532142 -0.803713
H -4.062095 0.800092 0.522071
H 1.270746 -0.950886 -1.599244
H 0.933196 0.798118 -1.850076
H -0.895754 -1.345875 1.473997
H 0.731875 -0.695106 1.701534
H 1.650089 -2.436958 0.382920
H 0.089555 -3.082262 0.012688
H 3.510878 1.857795 0.168883


