%chk=000100064.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000100064

0 1
 O   0.2580000       2.084300      -1.540400    
 O    4.494300      0.9375000      0.2969000    
 O    2.981600       2.326000      -1.523100    
 O   -5.521800       1.594800      0.5224000    
 O   -4.958900     -0.2897000      -1.431800    
 O   0.1764000      -4.508800     -0.9958000    
 O    4.445200     -0.3330000       2.580900    
 N   2.4900001E-02  -2.190700     -0.8577000    
 C  -0.9024000      -2.121900      0.2555000    
 C  -0.1886000      -2.298700       1.615000    
 C   0.4486000      -1.060000       2.258200    
 C    1.119400     -0.1425000       1.270000    
 C   -1.775600     -0.8728000      0.1034000    
 C   0.3427000      0.5809000      0.3407000    
 C   -1.142800      0.4337000      0.3448000    
 C    2.514400     -1.6400000E-02   1.250700    
 C   0.9799000       1.405800     -0.5996000    
 C   -3.039500      -1.054800     -0.3216000    
 C    3.134800      0.8148000      0.3182000    
 C   -1.799600       1.561000      0.6792000    
 C    2.369700       1.522800     -0.6060000    
 C   -4.107300     -5.9799999E-02 -0.5750000    
 C   0.4811000      -3.384000      -1.383400    
 C   -3.210700       1.773400      0.8639000    
 C    3.361000     -0.7573000       2.182300    
 C   -4.235700       1.126500      0.3031000    
 C    1.411900      -3.169800      -2.546700    
 C   2.4100000E-02   1.417500      -2.777300    
 C    5.211700      2.4400000E-02 -0.5288000    
 C    3.192800       3.686000      -1.152400    
 C   -6.090000      0.9707000       1.654300    
 H   -1.537200      -3.014000      0.1567000    
 H  -0.9117000      -2.701600       2.337100    
 H   0.5885000      -3.067800       1.511300    
 H  -0.3383000     -0.4829000       2.765000    
 H    1.090900      -1.367600       3.087600    
 H   0.3441000      -1.330600      -1.292200    
 H   -3.366100      -2.066300     -0.5626000    
 H   -1.228100       2.465600      0.8951000    
 H   -3.437900       2.641300       1.483000    
 H    3.008300      -1.743400       2.521200    
 H    2.203200      -2.466100      -2.271700    
 H   0.8502000      -2.772700      -3.396700    
 H    1.871300      -4.120200      -2.831500    
 H  -0.6042000      0.5342000      -2.629800    
 H   0.9685000       1.129000      -3.250000    
 H  -0.5007000       2.108000      -3.443200    
 H    6.281200      0.1891000     -0.3721000    
 H    4.976800      -1.012600     -0.2689000    
 H    4.982600      0.2042000      -1.583900    
 H    3.687600       4.194700      -1.984300    
 H    2.238600       4.184900     -0.9557000    
 H    3.838000       3.749600     -0.2705000    
 H   -7.106700       1.354600       1.781400    
 H   -5.527300       1.203800       2.565300    
 H   -6.155500     -0.1150000       1.521300    


%chk=000100064-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000100064

0 1
O 0.160081 1.933682 -1.543655
O 4.598531 1.125379 0.292880
O 2.985323 2.281555 -1.658506
O -5.524640 1.574328 0.838604
O -5.389535 -1.167035 0.046474
O -0.995506 -4.039303 -1.726709
O 4.708453 -1.018349 2.145222
N 0.146069 -2.268638 -0.728304
C -0.746857 -2.215751 0.448674
C 0.028279 -2.342366 1.797030
C 0.500314 -0.991099 2.402570
C 1.215747 -0.125552 1.374222
C -1.691723 -0.989725 0.431999
C 0.391942 0.493272 0.387700
C -1.105715 0.338089 0.428240
C 2.642937 -0.001791 1.317341
C 1.000528 1.290189 -0.632693
C -3.050629 -1.309757 0.404625
C 3.231627 0.813956 0.296443
C -1.839357 1.534291 0.481937
C 2.414065 1.468384 -0.658700
C -4.299140 -0.548690 0.345529
C -0.055272 -3.188359 -1.751639
C -3.230752 1.781843 0.613702
C 3.503001 -0.686225 2.317207
C -4.326869 0.910892 0.635737
C 0.934661 -3.103938 -2.910355
C 0.428461 1.765559 -2.994801
C 5.466729 0.251698 -0.533367
C 3.551455 3.564155 -1.163898
C -6.778120 0.884320 1.234775
H -1.367066 -3.121760 0.335379
H -0.633248 -2.835231 2.534574
H 0.890996 -3.014997 1.631002
H -0.388440 -0.441847 2.764239
H 1.122374 -1.202782 3.287050
H 0.913257 -1.599624 -0.797088
H -3.283121 -2.381863 0.330376
H -1.234600 2.448264 0.464571
H -3.513360 2.835793 0.733154
H 3.012581 -0.910534 3.292638
H 1.716840 -2.337014 -2.770308
H 0.380198 -2.886679 -3.839907
H 1.417915 -4.086984 -3.042747
H 0.306401 0.701484 -3.271722
H 1.438918 2.121810 -3.248035
H -0.344267 2.370403 -3.491375
H 6.469564 0.699278 -0.467228
H 5.479598 -0.762840 -0.101213
H 5.117001 0.250095 -1.582581
H 3.973770 4.056089 -2.053020
H 2.748085 4.188142 -0.730049
H 4.339257 3.365883 -0.418201
H -7.467321 1.714683 1.452467
H -6.612427 0.272884 2.138630
H -7.141292 0.240431 0.422911


