%chk=000004739.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000004739

0 1
 O    2.344900     -0.2440000     -0.8491000    
 O    2.624500       1.993000       1.163400    
 O    4.879500      -1.304000      -1.424700    
 O   -3.998300       1.295000      0.7417000    
 N   8.8100001E-02  0.1554000     -0.2181000    
 N   -1.217300       1.801100     -0.9558000    
 N   -1.512100      -1.443700      0.5263000    
 N   -3.954400      -1.561300      0.2758000    
 C    1.321300     -0.5663000      0.1068000    
 C    1.864900     -0.2598000       1.499700    
 C    3.053400      0.6365000       1.230100    
 C    3.522000      0.1992000     -0.1490000    
 C    4.509100     -0.9604000     -9.9399999E-02
 C   -1.197100     -0.2604000     -3.0200001E-02
 C   -1.989300      0.7660000     -0.4854000    
 C   2.5000000E-02   1.401900     -0.7813000    
 C   -3.471900      0.8073000     -0.4904000    
 C   -4.091300     -0.5613000     -0.7924000    
 C   -2.800900      -1.894300      0.7321000    
 H    1.105700      -1.633900     -5.4000001E-03
 H    2.211700      -1.194800       1.955900    
 H    1.120000      0.1873000       2.165900    
 H    3.823400      0.5676000       2.004100    
 H    3.945600       1.024700     -0.7318000    
 H    4.076000      -1.852400      0.3644000    
 H    5.414300     -0.6832000      0.4486000    
 H   0.9037000       1.974200      -1.045300    
 H   -3.797000       1.501700      -1.275000    
 H    3.403600       2.535200      0.9519000    
 H  -0.7719000      -2.021300      0.9176000    
 H   -5.169200     -0.4199000     -0.9388000    
 H   -3.700700     -0.9737000      -1.731400    
 H    4.066900      -1.541000      -1.903600    
 H   -2.787700      -2.715300       1.468800    
 H   -3.644600       2.190900      0.8778000    


%chk=000004739-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000004739

0 1
O 1.814896 -1.149407 0.430093
O 2.901309 2.122469 0.151857
O 3.679976 -2.488480 -1.282839
O -4.330164 0.618868 0.563971
N 0.075077 0.507791 0.791041
N -1.409195 2.158503 0.312247
N -1.126512 -1.486025 0.018513
N -3.314997 -1.768132 -1.111269
C 1.167215 -0.252356 1.414723
C 2.332187 0.600335 1.945096
C 3.248329 0.812998 0.718154
C 2.917585 -0.377396 -0.233517
C 4.071238 -1.364238 -0.436249
C -1.053303 -0.105565 0.206947
C -1.964525 0.917131 -0.073270
C -0.199628 1.894632 0.819765
C -3.371963 0.799569 -0.564737
C -3.640810 -0.385493 -1.520390
C -2.235919 -2.181643 -0.526064
H 0.740345 -0.933173 2.172761
H 2.857929 0.010662 2.713877
H 2.035193 1.562880 2.386668
H 4.318522 0.801623 1.011219
H 2.535483 -0.010125 -1.205675
H 4.435238 -1.712071 0.555086
H 4.904075 -0.875552 -0.971600
H 0.528804 2.629156 1.145825
H -3.629127 1.737504 -1.101433
H 3.397523 2.275265 -0.691295
H -0.265560 -2.023550 0.157750
H -4.722817 -0.373334 -1.739762
H -3.112628 -0.175596 -2.473428
H 2.882172 -2.913362 -0.875447
H -2.114660 -3.269614 -0.404297
H -4.151388 1.341728 1.219479


