%chk=000047452.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000047452

0 1
 O    2.932800      -1.690900      0.1155000    
 O    3.976200      0.4077000     -0.4456000    
 O   -2.097000       1.381600      0.9320000    
 N   -2.150200     -0.8412000      0.2742000    
 C    2.042100     -0.6622000      8.6099997E-02
 C    2.637900      0.5361000     -0.2342000    
 C  -6.7100003E-02  0.4167000      0.2638000    
 C   0.6892000     -0.7552000      0.3409000    
 C    1.913900       1.707600     -0.3172000    
 C   0.5418000       1.641100     -6.3500002E-02
 C    4.155900      -1.005600     -0.2229000    
 C   -1.497300      0.3711000      0.5247000    
 C   -3.569900      -1.037600      0.4616000    
 C   -4.280100     -0.7039000     -0.8081000    
 C   -5.228300      0.2346000     -0.9075000    
 H   0.2696000      -1.715800      0.6175000    
 H    2.387200       2.649400     -0.5706000    
 H  -4.4799998E-02   2.554400     -0.1289000    
 H    4.569300      -1.454600      -1.133300    
 H    4.873100      -1.143800      0.5944000    
 H   -1.639100      -1.619700     -0.1283000    
 H   -3.728500      -2.090800      0.7129000    
 H   -3.913700     -0.4245000       1.301300    
 H   -4.017000      -1.271300      -1.697400    
 H   -5.714000      0.4261000      -1.858000    
 H   -5.534200      0.8249000     -5.0900001E-02


%chk=000047452-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000047452

0 1
O 3.071224 -1.708321 0.041447
O 4.092578 0.429122 -0.351012
O -2.155981 1.435007 0.924124
N -2.203879 -0.818868 0.347927
C 2.093616 -0.680638 0.056628
C 2.697782 0.575902 -0.168425
C -0.053104 0.382811 0.304683
C 0.728011 -0.815273 0.300384
C 1.957407 1.761265 -0.148922
C 0.565570 1.641330 0.093268
C 4.336733 -1.039845 -0.363595
C -1.540334 0.385788 0.551661
C -3.667743 -0.929314 0.520518
C -4.425320 -0.835812 -0.795589
C -5.281760 0.167159 -1.107496
H 0.304800 -1.798436 0.525453
H 2.431750 2.732180 -0.310154
H -0.070931 2.530277 0.131488
H 4.597098 -1.350921 -1.391938
H 5.120688 -1.278371 0.372144
H -1.707843 -1.597999 -0.086042
H -3.888157 -1.891114 1.024140
H -3.969699 -0.106608 1.189247
H -4.246622 -1.644585 -1.521300
H -5.809544 0.195317 -2.067869
H -5.468540 0.994148 -0.412270


