%chk=000070577.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000070577

0 1
 O    4.016400       2.057200      0.4720000    
 O    3.192700      -1.732700     -0.4543000    
 O    3.767600     -0.5058000       1.416800    
 N   9.2600003E-02   1.403100     -0.4194000    
 C   0.9243000      0.3298000      0.1488000    
 C    2.383400      0.4552000     -0.3010000    
 C   0.5622000       2.718800      3.9500002E-02
 C    1.994200       2.985100     -0.4128000    
 C   -1.310300       1.207900     -5.1500000E-02
 C    2.898000       1.848800      5.2999998E-03
 C   -1.828700     -0.1368000     -0.5626000    
 C    3.196600     -0.6254000      0.3412000    
 C   -3.280400     -0.3407000     -0.2095000    
 C   -3.610100     -0.9542000      0.9898000    
 C   -4.262400      8.8200003E-02  -1.089900    
 C    3.937600      -2.849300      4.2399999E-02
 C   -4.953000      -1.143000       1.316200    
 C   -5.605300     -0.1003000     -0.7633000    
 C   -5.950600     -0.7159000      0.4398000    
 C    3.835200      -3.990000     -0.9476000    
 H   0.6090000     -0.6578000     -0.1969000    
 H   0.8589000      0.3249000       1.245900    
 H    2.461100      0.3474000      -1.391700    
 H   0.5025000       2.788900       1.134000    
 H  -7.6300003E-02   3.509500     -0.3729000    
 H    2.358200       3.915900      3.4800000E-02
 H    2.051700       3.082100      -1.502600    
 H   -1.443800       1.273700       1.037100    
 H   -1.915900       2.010200     -0.4932000    
 H   -1.295300     -0.9923000     -0.1374000    
 H   -1.700500     -0.2090000      -1.650800    
 H   -2.841300      -1.287900       1.681000    
 H   -4.003400      0.5703000      -2.028200    
 H    4.987200      -2.561100      0.1682000    
 H    3.527300      -3.160500       1.009600    
 H   -5.222100      -1.621600       2.253300    
 H   -6.382100      0.2326000      -1.445500    
 H   -6.996200     -0.8624000      0.6943000    
 H    4.394500      -4.862400     -0.5984000    
 H    2.789200      -4.277100      -1.097700    
 H    4.225200      -3.687900      -1.925200    


%chk=000070577-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000070577

0 1
O 3.988714 1.335925 0.098571
O 3.856148 -1.813373 -0.521543
O 2.893795 -1.590011 1.590511
N -0.091280 0.981034 -0.274177
C 0.710942 -0.070464 0.389666
C 2.101174 -0.203925 -0.295839
C 0.552246 2.307318 -0.133407
C 1.940445 2.307467 -0.826453
C -1.518721 0.978595 0.134633
C 2.811612 1.170852 -0.306429
C -2.321213 -0.198987 -0.482560
C 2.960715 -1.258447 0.384553
C -3.798506 -0.104960 -0.129837
C -4.293673 -0.649191 1.083711
C -4.705536 0.572521 -0.985362
C 4.852248 -2.777659 0.045334
C -5.657027 -0.521716 1.433545
C -6.069914 0.702698 -0.640664
C -6.550569 0.156285 0.571993
C 5.755632 -3.204160 -1.106439
H 0.184594 -1.036286 0.310202
H 0.865944 0.132115 1.476855
H 1.942773 -0.487048 -1.353907
H 0.681423 2.600363 0.939450
H -0.091965 3.067706 -0.609725
H 2.466318 3.264396 -0.669236
H 1.782702 2.158890 -1.912684
H -1.636388 0.959831 1.246611
H -1.971764 1.924528 -0.216885
H -1.910652 -1.160743 -0.120933
H -2.173661 -0.169649 -1.577526
H -3.608154 -1.183431 1.754028
H -4.340473 0.992996 -1.931060
H 5.403783 -2.261378 0.851044
H 4.298857 -3.624583 0.490135
H -6.022645 -0.952440 2.372735
H -6.757074 1.223883 -1.317065
H -7.608658 0.253293 0.839917
H 6.516118 -3.917850 -0.740258
H 5.173745 -3.695946 -1.904786
H 6.275842 -2.332948 -1.539119


