%chk=000010074.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000010074

0 1
 O    3.541800      -1.354700     -0.9404000    
 O   -3.414200      -1.225300     -0.2229000    
 O   -2.654300      -2.944300       1.007700    
 N   0.4240000       2.164900     -0.1323000    
 C   0.5145000      0.6808000      3.5799999E-02
 C  -0.8352000     -3.1199999E-02 -0.2353000    
 C    1.671500      0.1448000     -0.8409000    
 C   0.9404000      0.6068000       1.491500    
 C  -0.3926000       2.610000      -1.248100    
 C   4.7600001E-02   2.716800       1.185300    
 C   -1.874400      0.6153000     -0.7955000    
 C   -1.811600       2.055000      -1.222600    
 C    2.243100      -1.207500     -0.3645000    
 C   0.6152000       1.725600       2.148100    
 C   -1.001500      -1.489500      8.0700003E-02
 C    1.742700     -0.4783000       1.984100    
 C    2.343800      -1.326500       1.135900    
 C   -3.175700     -7.4900001E-02  -1.053000    
 C   -2.418700      -1.938400      0.3411000    
 C    3.493600      -1.249200      -2.354600    
 H    2.488500      0.8837000     -0.8506000    
 H    1.329100      7.1199998E-02  -1.881900    
 H   9.5100001E-02   2.300200      -2.181600    
 H  -0.4216000       3.705700      -1.286000    
 H   -1.033400       2.799500       1.339800    
 H   0.5074000       3.700700       1.319300    
 H   -2.241900       2.161400      -2.226000    
 H   -2.435200       2.649300     -0.5435000    
 H    1.624600      -2.038100     -0.7212000    
 H   0.8337000       1.940100       3.184000    
 H  -0.6107000      -2.096400     -0.7420000    
 H  -0.4592000      -1.739400      0.9954000    
 H    1.886300     -0.5816000       3.054500    
 H    2.938200      -2.141800       1.539100    
 H   -4.003400      0.6131000     -0.8492000    
 H   -3.251600     -0.3843000      -2.100900    
 H    3.453900     -0.2051000      -2.677900    
 H    2.665500      -1.824900      -2.781100    
 H    4.425400      -1.667400      -2.747900    


%chk=000010074-Freq.chk
%nprocshared=24
%mem=100GB
#p freq=noraman PBEPBE/SDD

000010074

0 1
O 3.592247 -1.378892 -1.026360
O -3.440767 -1.046793 0.016049
O -2.631008 -2.561467 1.525889
N 0.341973 2.246287 -0.020971
C 0.541783 0.760507 0.049834
C -0.780669 0.019432 -0.287313
C 1.729594 0.292762 -0.842711
C 0.919194 0.592999 1.531822
C -0.408739 2.716547 -1.197978
C -0.139456 2.697334 1.321126
C -1.829861 0.654753 -0.885915
C -1.837283 2.115772 -1.291711
C 2.246120 -1.123554 -0.469591
C 0.475764 1.666027 2.247537
C -0.982576 -1.453136 0.069133
C 1.752122 -0.529012 1.946085
C 2.381540 -1.321910 1.026097
C -3.104647 -0.131690 -1.114589
C -2.383551 -1.751765 0.612771
C 3.602316 -1.516749 -2.482919
H 2.557309 1.005579 -0.672902
H 1.447796 0.331516 -1.911382
H 0.166445 2.433343 -2.099928
H -0.451076 3.820899 -1.177301
H -1.254175 2.706626 1.422605
H 0.217456 3.724541 1.532244
H -2.226745 2.232017 -2.324203
H -2.545494 2.668180 -0.638687
H 1.563664 -1.902833 -0.888638
H 0.589703 1.816138 3.324512
H -0.845586 -2.089607 -0.833082
H -0.267430 -1.809595 0.824578
H 1.910501 -0.696147 3.018608
H 3.041371 -2.140881 1.334591
H -3.982285 0.530895 -1.192446
H -3.049265 -0.747419 -2.036898
H 3.404834 -0.554056 -2.996493
H 2.855361 -2.266897 -2.823625
H 4.614219 -1.863651 -2.745437


