%chk=000045264.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000045264

0 1
 O   0.7090000      0.7344000     -0.7250000    
 O   -2.441300     -0.7250000      -1.636400    
 O  -0.1245000     -1.3200000E-02  -2.739500    
 N    3.338600      0.8058000      0.6360000    
 C   -1.092400      -1.385800      0.2115000    
 C   -1.466400     -0.2274000     -0.7114000    
 C  -0.4466000      -2.527100     -0.5857000    
 C   -2.323000      -1.884700      0.9809000    
 C  -0.1121000      -3.719700      0.3073000    
 C   -1.985300      -3.078300       1.871400    
 C   -1.335700      -4.207100       1.077100    
 C    1.912500       1.138700      -1.375500    
 C  -0.2363000      0.1668000      -1.532900    
 C   -2.084900      0.9976000     -4.3699998E-02
 C    2.573000     -6.1000001E-02  -2.051500    
 C    2.838200       1.787200     -0.3409000    
 C    3.150100      -1.022500      -1.016300    
 C    4.056600     -0.2908000     -2.6200000E-02
 C    4.198100       1.459000       1.623000    
 C   -3.055500       1.702800     -0.7217000    
 C   -1.652200       1.356500       1.214300    
 C    4.621700      0.4868000       2.710900    
 C   -3.621100       2.822300     -0.1115000    
 C   -2.218000       2.476000       1.824500    
 C   -3.202500       3.208800       1.161500    
 H  -0.3398000      -1.065100      0.9439000    
 H   0.4648000      -2.214300      -1.096000    
 H   -1.131100      -2.873700      -1.371000    
 H   -2.749000      -1.101800       1.615800    
 H   -3.115000      -2.189100      0.2851000    
 H   0.2866000      -4.537300     -0.3039000    
 H   0.6769000      -3.435700       1.014600    
 H   -1.306700      -2.756400       2.671000    
 H   -2.896800      -3.446800       2.355700    
 H   -1.045700      -5.016700       1.756200    
 H   -2.066200      -4.625800      0.3739000    
 H    1.654700       1.894600      -2.128400    
 H    3.403600      0.3133000      -2.665600    
 H    1.947300     -0.6349000      -2.733800    
 H    2.272600       2.561800      0.1920000    
 H    3.675300       2.276000     -0.8562000    
 H    2.349700      -1.516700     -0.4592000    
 H    3.720400      -1.809200      -1.523500    
 H    4.949400      8.1100002E-02 -0.5460000    
 H    4.386500      -1.047100      0.6930000    
 H   -2.319700     -0.2845000      -2.494700    
 H    5.085600       1.907200       1.158800    
 H    3.639200       2.271200       2.104200    
 H   -3.394900       1.445300      -1.719100    
 H  -0.8760000      0.8231000       1.750400    
 H    5.053300       1.043600       3.550400    
 H    5.392000     -0.2124000       2.371800    
 H    3.770800     -8.2400002E-02   3.100500    
 H   -4.384400       3.396000     -0.6291000    
 H   -1.888800       2.780400       2.813800    
 H   -3.641400       4.081800       1.635800    


%chk=000045264-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000045264

0 1
O 0.878814 0.270563 -0.902715
O -2.575465 -0.531822 -1.772986
O -0.313888 0.304875 -2.905624
N 3.369274 1.017408 0.565631
C -1.238753 -1.542941 0.027490
C -1.503097 -0.247434 -0.817483
C -0.754417 -2.713649 -0.864736
C -2.509748 -1.947881 0.815266
C -0.524401 -4.001630 -0.038541
C -2.277479 -3.235547 1.640549
C -1.795203 -4.401874 0.746428
C 2.137670 0.724653 -1.600868
C -0.256988 0.132903 -1.658235
C -1.888906 0.956732 0.078340
C 2.992432 -0.509758 -1.930004
C 2.849219 1.689963 -0.645907
C 3.546754 -1.154791 -0.642417
C 4.277680 -0.104407 0.220000
C 3.962463 1.999762 1.509130
C -3.143535 1.585627 -0.102934
C -1.020996 1.424568 1.100039
C 4.250414 1.416326 2.904454
C -3.527885 2.668898 0.719752
C -1.409512 2.504712 1.922839
C -2.663478 3.132913 1.736896
H -0.434217 -1.294703 0.750000
H 0.184370 -2.437977 -1.387276
H -1.519579 -2.899670 -1.643304
H -2.820030 -1.121737 1.482160
H -3.333660 -2.107810 0.092848
H -0.210094 -4.825925 -0.708349
H 0.307728 -3.836044 0.678090
H -1.515810 -3.039967 2.424603
H -3.211356 -3.515223 2.166049
H -1.599986 -5.303474 1.359472
H -2.598705 -4.665605 0.028097
H 1.827034 1.249541 -2.522484
H 3.831944 -0.171167 -2.571104
H 2.400184 -1.226927 -2.526256
H 2.145394 2.484951 -0.339881
H 3.670706 2.179462 -1.238347
H 2.714569 -1.581066 -0.052581
H 4.241473 -1.977482 -0.895087
H 5.184477 0.265222 -0.333031
H 4.631420 -0.574322 1.153378
H -2.241937 -0.256556 -2.673368
H 4.901670 2.450873 1.091508
H 3.234193 2.827235 1.614630
H -3.807554 1.204303 -0.883674
H -0.038406 0.961165 1.241718
H 4.553442 2.223660 3.595914
H 5.066518 0.672239 2.890180
H 3.344835 0.930365 3.308357
H -4.503336 3.145531 0.568499
H -0.731531 2.856815 2.709089
H -2.961523 3.971725 2.376384


