%chk=000008440.chk
%nprocshared=24
%mem=100GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000008440

0 1
 O    2.672200      -1.624900     -0.1299000    
 O    3.543500      0.5353000      0.4881000    
 O   -1.720600      0.1889000     -0.9453000    
 O   -2.252000     -0.2106000       1.282700    
 N   -3.902300     -0.1877000     -0.3477000    
 C    1.727900     -0.6473000     -0.1998000    
 C    2.225400      0.5862000      0.1532000    
 C   0.4108000     -0.8191000     -0.5736000    
 C  -0.4128000      0.3091000     -0.5831000    
 C    1.433500       1.715900      0.1520000    
 C    3.820000     -0.8682000      0.3060000    
 C   9.5600002E-02   1.569400     -0.2224000    
 C   -2.606400     -8.3899997E-02  0.1143000    
 C   -5.034700     -0.4629000      0.5056000    
 H   2.8800000E-02  -1.795800     -0.8503000    
 H    1.829100       2.685800      0.4309000    
 H    4.615100     -0.9753000     -0.4408000    
 H    4.172900      -1.282800       1.257400    
 H  -0.5542000       2.440900     -0.2340000    
 H   -4.069000     -6.4300001E-02  -1.341700    
 H   -4.731800     -0.5643000       1.550300    
 H   -5.502300      -1.389300      0.1633000    
 H   -5.746400      0.3600000      0.4037000    


%chk=000008440-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000008440

0 1
O 2.620898 -1.584986 0.343380
O 3.768522 0.446269 -0.220356
O -1.830308 0.669496 -0.158875
O -2.411472 -1.563042 0.474100
N -4.000803 0.111008 0.036554
C 1.688525 -0.540619 0.114565
C 2.362862 0.653111 -0.214527
C 0.296761 -0.645218 0.158710
C -0.411640 0.551058 -0.149401
C 1.664680 1.823027 -0.521749
C 3.952478 -0.922331 0.330064
C 0.247553 1.757427 -0.481877
C -2.726975 -0.391995 0.153179
C -5.186760 -0.711402 0.287210
H -0.218691 -1.571466 0.409464
H 2.183660 2.748080 -0.783052
H 4.626619 -1.487677 -0.331539
H 4.326639 -0.847354 1.368908
H -0.356356 2.640244 -0.706687
H -4.094675 1.089887 -0.234620
H -4.848447 -1.724686 0.555063
H -5.825036 -0.777691 -0.612984
H -5.785734 -0.306039 1.123369


