%chk=000024974.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000024974

0 1
 O    1.702800       1.656100       1.773800    
 O   -5.114200      -2.058300      0.4876000    
 O   -6.230900     -3.1700000E-02 -0.1817000    
 O    4.308800       1.321400      0.2226000    
 O    5.718600     -0.9721000     -0.3507000    
 N   1.8900000E-02   1.258700      0.1318000    
 C  -0.7518000       2.504400      0.2081000    
 C  -0.6071000      9.8999999E-03  2.7000001E-03
 C    1.462100       1.379400      0.3947000    
 C   -1.965200       2.432600     -0.7125000    
 C   -2.099200      7.9999998E-04 -3.3799998E-02
 C   -2.774400       1.201800     -0.3917000    
 C    2.232100      0.1251000      4.6100002E-02
 C    1.561500      -1.086700     -0.1907000    
 C   9.5899999E-02  -1.129500     -0.1507000    
 C   -2.862400      -1.135100      0.2928000    
 C   -4.175000       1.247100     -0.4766000    
 C    3.633900      0.1571000     -8.6000003E-03
 C   -4.239600      -1.051400      0.2136000    
 C   -4.877100      0.1039000     -0.1658000    
 C    2.295900      -2.245200     -0.4747000    
 C    4.357600     -0.9998000     -0.2961000    
 C    3.689200      -2.199600     -0.5274000    
 C   -6.374200      -1.405700      0.2313000    
 C    4.572800       2.149000     -0.9068000    
 C    6.421100      -1.232400      0.8628000    
 H  -0.1356000       3.363400     -8.2099997E-02
 H   -1.069200       2.664100       1.246400    
 H    1.849700       2.215800     -0.1964000    
 H   -1.652800       2.383900      -1.762800    
 H   -2.567600       3.339000     -0.5822000    
 H  -0.3696000      -2.098100     -0.2956000    
 H   -2.405600      -2.067300      0.6082000    
 H   -4.692100       2.155200     -0.7680000    
 H    1.793000      -3.191100     -0.6613000    
 H    1.203100       2.458900       1.997300    
 H    4.246800      -3.105200     -0.7513000    
 H   -6.901000      -1.956200     -0.5567000    
 H   -6.977700      -1.436300       1.145700    
 H    3.715400       2.202800      -1.585400    
 H    5.443900       1.766500      -1.447500    
 H    4.799800       3.156600     -0.5483000    
 H    6.197900      -2.240400       1.226300    
 H    6.161300     -0.4916000       1.625700    
 H    7.493300      -1.163400      0.6594000    


%chk=000024974-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000024974

0 1
O 1.566348 1.719115 1.705733
O -5.246073 -2.079397 0.602331
O -6.400648 -0.057658 0.024967
O 4.174415 1.384805 0.175793
O 5.729901 -1.033276 -0.355366
N -0.036568 1.257555 -0.002270
C -0.802137 2.510223 0.185961
C -0.707140 0.023242 -0.057221
C 1.387556 1.360619 0.248400
C -2.065637 2.489441 -0.688773
C -2.192802 0.053155 -0.031927
C -2.888991 1.257272 -0.357445
C 2.143213 0.093740 -0.078316
C 1.456766 -1.145366 -0.259777
C 0.012408 -1.154982 -0.199680
C -2.928779 -1.128204 0.303512
C -4.309640 1.304794 -0.372993
C 3.555602 0.137783 -0.116911
C -4.316379 -1.058774 0.264652
C -4.999247 0.131047 -0.070836
C 2.227077 -2.318324 -0.520204
C 4.310641 -1.044719 -0.334627
C 3.630629 -2.265127 -0.558104
C -6.573736 -1.520607 0.242036
C 5.058548 1.916647 -0.889607
C 6.345940 -0.809027 0.973473
H -0.139257 3.349084 -0.094190
H -1.070392 2.642369 1.252414
H 1.791883 2.221991 -0.324665
H -1.767585 2.478922 -1.756813
H -2.654030 3.409128 -0.518494
H -0.515616 -2.100178 -0.338665
H -2.424195 -2.045707 0.612238
H -4.839670 2.230841 -0.612241
H 1.711526 -3.271559 -0.682201
H 2.529549 1.946794 1.810353
H 4.231160 -3.162048 -0.741918
H -6.918278 -1.983402 -0.702370
H -7.269630 -1.677464 1.079995
H 4.467336 2.132227 -1.799572
H 5.857437 1.192758 -1.125549
H 5.481055 2.848515 -0.483575
H 6.072703 -1.628882 1.664651
H 6.024659 0.159730 1.399085
H 7.433178 -0.810695 0.800212


