%chk=000037834.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000037834

1 1
 O  -0.5155000      -2.897000     -0.6594000    
 O    1.974100      -3.889600     -0.4985000    
 O   -4.652200     -0.9566000      0.1520000    
 O   -4.871800       1.772800     -0.3017000    
 N    2.433900       2.561800      0.1874000    
 C    1.160700       1.672900      0.3329000    
 C    3.576000       1.872300      0.9525000    
 C    1.384900      0.1851000      9.2699997E-02
 C   4.9000001E-03   2.191400     -0.5452000    
 C    3.891700      0.5035000      0.3652000    
 C    2.680200     -0.3617000      0.1528000    
 C    2.209900       3.927100      0.8530000    
 C    2.835700       2.808300      -1.267900    
 C   0.2560000     -0.6482000     -0.1235000    
 C   -1.233900       1.345600     -0.3477000    
 C   -1.100300     -4.7800001E-02 -0.1525000    
 C    2.859300      -1.734600     -5.0299998E-02
 C   0.4789000      -2.022000     -0.3221000    
 C    1.765600      -2.559000     -0.2863000    
 C   -2.501600       1.943800     -0.4107000    
 C   -2.277800     -0.7977000      1.8500000E-02
 C   -3.649600       1.175000     -0.2486000    
 C   -3.537500     -0.1932000     -2.9100001E-02
 C    1.947300      -4.739200      0.6461000    
 C   -5.119100      -1.113100       1.490200    
 H   0.8740000       1.764800       1.391200    
 H    3.252100       1.783700       1.997300    
 H    4.455000       2.525900      0.9127000    
 H   0.2562000       2.148400      -1.611800    
 H  -0.2275000       3.231500     -0.2955000    
 H    4.586000     -4.1999999E-03   1.046400    
 H    4.413600      0.6149000     -0.5928000    
 H    1.897800       3.763600       1.888500    
 H    3.152800       4.481900      0.8221000    
 H    1.442800       4.473600      0.3000000    
 H    2.842300       1.859000      -1.808300    
 H    2.114300       3.493800      -1.721300    
 H    3.830300       3.264400      -1.276600    
 H    3.860200      -2.160100     -3.0900000E-02
 H   -2.591300       3.013800     -0.5830000    
 H   -2.261700      -1.857200      0.2493000    
 H  -0.1337000      -3.774900     -0.8295000    
 H   -5.555600       1.087600     -0.2058000    
 H   0.9866000      -4.663800       1.165300    
 H    2.763300      -4.483500       1.329500    
 H    2.083100      -5.770800      0.3103000    
 H   -6.032200      -1.714200       1.466300    
 H   -5.351800     -0.1414000       1.937200    
 H   -4.372300      -1.635500       2.096500    


%chk=000037834-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000037834

1 1
O -0.909607 -2.790260 -0.023390
O 1.396055 -3.962837 0.155277
O -4.980630 -0.265183 0.553238
O -4.903268 2.302468 -0.188555
N 2.449962 2.518164 0.117302
C 1.091825 1.757155 0.304376
C 3.495323 1.862079 1.044441
C 1.270147 0.236182 0.260282
C 0.027920 2.201935 -0.716495
C 3.798818 0.429283 0.613909
C 2.530061 -0.386370 0.407986
C 2.292247 3.971325 0.552117
C 2.930603 2.478823 -1.329309
C 0.056305 -0.536051 0.129078
C -1.282310 1.527712 -0.341023
C -1.256295 0.155686 0.046628
C 2.637064 -1.800075 0.372086
C 0.193799 -1.947319 0.110574
C 1.476198 -2.565896 0.214614
C -2.496088 2.240194 -0.419619
C -2.492643 -0.485682 0.355877
C -3.709139 1.600849 -0.112697
C -3.696610 0.228964 0.279631
C 2.636031 -4.745921 0.251296
C -5.111907 -1.673366 0.949267
H 0.755793 2.069389 1.316222
H 3.057521 1.886895 2.057607
H 4.394281 2.502174 1.024907
H 0.328625 1.886075 -1.735426
H -0.111483 3.296899 -0.721344
H 4.413637 -0.027212 1.412113
H 4.435024 0.420703 -0.293039
H 2.015846 4.000055 1.617169
H 3.250490 4.492615 0.401183
H 1.511234 4.458135 -0.047561
H 2.870873 1.448881 -1.706845
H 2.293638 3.133895 -1.939557
H 3.970747 2.839618 -1.363597
H 3.617038 -2.274751 0.479637
H -2.523699 3.291009 -0.723961
H -2.489944 -1.538153 0.637526
H -0.576928 -3.729942 -0.061362
H -5.652784 1.695528 0.057103
H 3.129347 -4.574962 1.225748
H 3.321211 -4.491949 -0.578231
H 2.323082 -5.795882 0.170109
H -6.189417 -1.835154 1.092312
H -4.572779 -1.864611 1.895727
H -4.731112 -2.339915 0.153570


