%chk=000002309.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000002309

0 1
 O   0.5784000      -1.945100     -0.7838000    
 O    3.193700      -2.162800      -1.791500    
 O  -0.9864000      0.5161000     -0.6162000    
 O  -0.7869000       3.191700      -1.343400    
 N    2.706400      0.3572000      0.8764000    
 C    2.947200      -1.719300     -0.4541000    
 C    2.893000     -0.1898000     -0.4606000    
 C    2.715100       1.813500      0.8496000    
 C    1.657900      -2.367100      4.6300001E-02
 C    4.049800       2.324900      0.3147000    
 C    2.445500       2.348900       2.252300    
 C  -0.6558000      -1.879400     -0.2079000    
 C   -1.387400     -0.6953000     -0.1375000    
 C   -2.647700     -0.5902000      0.4419000    
 C   -1.254700      -3.013900      0.3478000    
 C   -3.025000      0.7712000      0.3009000    
 C   -3.230900      -1.743800      0.9946000    
 C   -1.984600       1.397100     -0.3458000    
 C   -2.519000      -2.949900      0.9389000    
 C   -1.806400       2.749500     -0.7512000    
 C   -2.902400       3.786500     -0.4713000    
 H    3.789500      -2.058100      0.1610000    
 H    2.098700      0.1531000      -1.135700    
 H    3.836500      0.1367000     -0.9113000    
 H    1.907300       2.176800      0.2017000    
 H    3.441600      1.3200000E-02   1.493800    
 H    1.479400      -2.104000       1.096200    
 H    1.734600      -3.457800     -3.2200001E-02
 H    4.142400       3.402200      0.4967000    
 H    4.901600       1.841000      0.8062000    
 H    4.146300       2.193100     -0.7675000    
 H    1.484400       1.985200       2.632700    
 H    2.406400       3.443600       2.248600    
 H    3.226700       2.043200       2.957500    
 H    3.261800      -3.132600      -1.770500    
 H  -0.7392000      -3.971200      0.3195000    
 H   -3.945800       1.229700      0.6340000    
 H   -4.212800      -1.709600       1.456900    
 H   -2.959500      -3.849400       1.361300    
 H   -3.826100       3.488700     -0.9747000    
 H   -2.593900       4.764600     -0.8521000    
 H   -3.066200       3.864700      0.6068000    


%chk=000002309-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000002309

0 1
O 0.480786 -0.925854 -0.416128
O 2.470644 -1.372349 -2.300862
O -1.655294 0.864287 -1.122187
O -2.124804 3.097269 -2.764975
N 3.835972 -0.194598 1.020038
C 2.777643 -1.423314 -0.866583
C 3.327194 -0.064821 -0.363743
C 3.888560 1.053323 1.832082
C 1.556174 -1.883939 -0.062195
C 4.841941 2.137401 1.258508
C 4.269856 0.687198 3.280728
C -0.771920 -1.098777 0.160493
C -1.791428 -0.193823 -0.214537
C -3.118714 -0.255555 0.300712
C -1.131955 -2.096814 1.095249
C -3.829608 0.832460 -0.334250
C -3.463227 -1.266322 1.240910
C -2.934845 1.485652 -1.178949
C -2.456840 -2.170234 1.620262
C -3.085508 2.651910 -2.074589
C -4.475022 3.286308 -2.115656
H 3.564084 -2.195592 -0.774714
H 2.503108 0.673744 -0.362107
H 4.081310 0.282557 -1.104097
H 2.858359 1.463772 1.834129
H 4.741890 -0.686401 1.049389
H 1.778205 -1.827095 1.020262
H 1.244844 -2.903634 -0.359657
H 4.794133 3.064958 1.859207
H 5.889533 1.777767 1.268804
H 4.576305 2.394524 0.217090
H 3.560372 -0.051601 3.692060
H 4.267172 1.582315 3.928331
H 5.286616 0.248207 3.319588
H 1.643720 -0.832243 -2.407629
H -0.387918 -2.825771 1.427719
H -4.874295 1.099534 -0.185437
H -4.473779 -1.338501 1.653077
H -2.684000 -2.962190 2.341907
H -5.232968 2.557758 -2.457878
H -4.454243 4.138741 -2.811262
H -4.778555 3.642843 -1.114113


