%chk=000072310.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000072310

1 1
 O    4.215700       1.622200      0.1225000    
 O   -6.173000     -0.2723000     -0.1143000    
 O   -4.742500      -2.518800      0.6719000    
 O    5.856800     -0.5738000     -3.5500001E-02
 N   5.1500000E-02   1.141400      0.1209000    
 C  -0.7866000       2.361300      0.2432000    
 C   -2.003900       2.241000     -0.6535000    
 C  -0.5124000     -0.1003000      6.3400000E-02
 C   -2.736700      0.9770000     -0.3057000    
 C   -1.986600     -0.1609000      5.5599999E-02
 C    1.395500       1.298600      0.1235000    
 C   0.3276000      -1.224100     -1.9400001E-02
 C    2.263900      0.2109000      4.8599999E-02
 C    1.718800      -1.079800     -2.6300000E-02
 C   -4.136600      0.9305000     -0.3712000    
 C   -2.698300      -1.327900      0.3869000    
 C    3.658700      0.3764000      4.6300001E-02
 C   -4.813500     -0.2407000     -4.7499999E-02
 C   -4.095200      -1.367300      0.3370000    
 C    2.580900      -2.186900     -0.1072000    
 C    4.503500     -0.7307000     -3.2800000E-02
 C    3.964900      -2.011500     -0.1101000    
 C    4.489900       2.125900       1.426200    
 C   -6.830900      0.9276000     -0.5178000    
 C    6.488600     -0.4178000      -1.304600    
 H  -0.1965000       3.237100     -4.5499999E-02
 H   -1.052200       2.443500       1.304300    
 H   -1.708200       2.201400      -1.708500    
 H   -2.643900       3.118800     -0.5112000    
 H    1.746900       2.322400      0.1869000    
 H  -9.7000003E-02  -2.222700     -9.4099998E-02
 H   -4.636900       1.843200     -0.6776000    
 H   -2.174800      -2.229000      0.6984000    
 H    2.179800      -3.196500     -0.1673000    
 H    4.615300      -2.879800     -0.1715000    
 H   -5.699800      -2.368700      0.5829000    
 H    3.584800       2.143400       2.041400    
 H    4.862200       3.149100       1.326200    
 H    5.260600       1.521700       1.915100    
 H   -6.565000       1.208600      -1.542600    
 H   -6.660600       1.740900      0.1959000    
 H   -7.906400      0.7218000     -0.5140000    
 H    6.330300      -1.306800      -1.923300    
 H    7.562200     -0.2931000      -1.139700    
 H    6.108100      0.4704000      -1.818600    


%chk=000072310-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000072310

1 1
O 4.181996 1.630143 0.167271
O -6.271570 -0.379727 -0.171283
O -4.841561 -2.506360 0.609770
O 5.880105 -0.800664 -0.028368
N 0.047063 1.189121 0.129895
C -0.799580 2.427687 0.234212
C -2.018964 2.319328 -0.690439
C -0.600297 -0.066662 0.080848
C -2.800118 1.062171 -0.349201
C -2.071962 -0.096354 0.052160
C 1.403349 1.308131 0.138625
C 0.215899 -1.207474 0.043369
C 2.249787 0.181184 0.107033
C 1.636341 -1.135186 0.070022
C -4.207788 1.015687 -0.441974
C -2.775439 -1.292247 0.374846
C 3.682857 0.326493 0.119178
C -4.895576 -0.175234 -0.135031
C -4.170374 -1.337676 0.283382
C 2.482558 -2.287230 0.059147
C 4.484038 -0.832090 0.024627
C 3.868101 -2.126544 0.036962
C 5.177797 1.931881 1.240218
C -7.146719 0.733870 -0.575264
C 6.486496 -0.073612 -1.180791
H -0.165259 3.291397 -0.021027
H -1.125393 2.518542 1.287309
H -1.689590 2.307297 -1.748695
H -2.641216 3.221249 -0.557546
H 1.823981 2.315436 0.169671
H -0.261639 -2.186853 -0.031506
H -4.755963 1.910029 -0.754000
H -2.265636 -2.192319 0.727825
H 2.041026 -3.288233 0.051756
H 4.539181 -2.990799 0.005477
H -5.820930 -2.373964 0.500616
H 4.672982 1.900857 2.221749
H 5.530428 2.949093 1.020730
H 6.012101 1.211992 1.222639
H -6.914645 1.053642 -1.607362
H -7.043626 1.581451 0.126499
H -8.166845 0.329637 -0.528131
H 6.249828 -0.609572 -2.116643
H 7.568798 -0.099755 -0.993218
H 6.124979 0.967935 -1.238058


