%chk=000017798.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000017798

0 1
 O   0.5622000       1.917700      -1.476600    
 O    3.271900       2.245400      -1.272200    
 O    4.668900       1.037700      0.7852000    
 O   -4.394700     -0.4432000      -1.787200    
 O   0.4731000      -4.688800     -0.3588000    
 N   0.3305000      -2.368900     -0.4771000    
 N   -5.366600       1.286400      0.1551000    
 C  -0.6527000      -2.179700      0.5699000    
 C  -1.5000000E-02  -2.222200       1.976800    
 C   0.5367000     -0.9157000       2.562400    
 C   -1.514300     -0.9639000      0.2252000    
 C    1.259700     -5.7399999E-02   1.558300    
 C   0.5409000      0.5653000      0.5166000    
 C  -0.9335000      0.3722000      0.4226000    
 C    1.227100       1.335300     -0.4349000    
 C    2.647900      0.1127000       1.636000    
 C   -2.721300      -1.194600     -0.3239000    
 C   -1.649500       1.492700      0.6377000    
 C    2.609400       1.496600     -0.3444000    
 C    3.317800      0.8882000      0.6897000    
 C   -3.731800     -0.2097000     -0.7786000    
 C   -3.079400       1.648900      0.7210000    
 C   0.8062000      -3.612400     -0.8478000    
 C   -4.039100      0.9623000      8.5600004E-02
 C    1.799000      -3.525900      -1.975900    
 C   0.4400000       1.152000      -2.671600    
 C    3.995200       3.376500     -0.7933000    
 C    5.476300      7.5800002E-02  0.1097000    
 C   -5.864800       2.417000      0.8905000    
 H   -1.286900      -3.077300      0.5308000    
 H   0.7923000      -2.967100       1.980200    
 H  -0.7651000      -2.597700       2.686000    
 H    1.198700      -1.158700       3.403400    
 H  -0.2792000     -0.3312000       3.007700    
 H   0.6923000      -1.555200     -0.9655000    
 H    3.211700     -0.3649000       2.434000    
 H   -3.021400      -2.221300     -0.5289000    
 H   -1.127100       2.430300      0.8353000    
 H   -3.350600       2.503800       1.338300    
 H    2.263400      -4.503000      -2.134500    
 H    1.286700      -3.218300      -2.891600    
 H    2.581400      -2.800500      -1.734500    
 H   -6.021600      0.7115000     -0.3645000    
 H  -0.1504000      0.2477000      -2.496600    
 H    1.426000      0.8836000      -3.064000    
 H  -7.5900003E-02   1.763200      -3.417200    
 H    5.050400       3.120100     -0.6646000    
 H    3.581000       3.769100      0.1420000    
 H    3.929300       4.163000      -1.550900    
 H    5.269700      8.4600002E-02 -0.9653000    
 H    5.301800     -0.9249000      0.5175000    
 H    6.525900      0.3393000      0.2659000    
 H   -5.651100       2.325600       1.960600    
 H   -6.952700       2.471900      0.7795000    
 H   -5.450600       3.357300      0.5117000    


%chk=000017798-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000017798

0 1
O 0.749973 1.813038 -1.288232
O 3.541865 2.054269 -1.020051
O 4.859948 0.701779 1.196557
O -5.220909 -1.179227 0.469329
O -0.562118 -4.195903 -1.548019
N 0.439461 -2.407828 -0.431079
N -5.340953 1.366563 0.285763
C -0.574279 -2.350702 0.643723
C 0.055745 -2.517448 2.062109
C 0.548355 -1.191367 2.707351
C -1.480315 -1.097843 0.554635
C 1.330682 -0.328818 1.733537
C 0.632571 0.325674 0.666646
C -0.861210 0.208258 0.535834
C 1.399857 1.110800 -0.242908
C 2.731678 -0.207737 1.845559
C -2.851078 -1.396892 0.517160
C -1.559463 1.432029 0.428901
C 2.809637 1.256031 -0.108574
C 3.485781 0.572469 0.938418
C -4.056388 -0.604924 0.457773
C -2.936521 1.742034 0.344070
C 0.364925 -3.333434 -1.462863
C -4.060653 0.892069 0.359049
C 1.490909 -3.249257 -2.492493
C 0.969590 1.235406 -2.634792
C 3.296785 3.511510 -0.878234
C 5.793207 0.454451 0.074020
C -5.734207 2.765332 0.173855
H -1.201160 -3.238122 0.449845
H 0.890814 -3.237987 1.974026
H -0.700706 -2.972125 2.729817
H 1.164781 -1.427859 3.593238
H -0.334299 -0.627475 3.064912
H 1.208361 -1.736725 -0.410656
H 3.269868 -0.708699 2.656554
H -3.106177 -2.465714 0.527085
H -0.913404 2.317479 0.415919
H -3.152629 2.816001 0.272277
H 2.057282 -4.196833 -2.486335
H 1.048466 -3.141586 -3.497681
H 2.190276 -2.413573 -2.313395
H -6.034418 0.598057 0.317734
H 0.542382 0.215732 -2.683989
H 2.048099 1.219264 -2.875587
H 0.432136 1.897095 -3.330821
H 3.603107 3.851072 0.128497
H 2.230621 3.737223 -1.054630
H 3.923912 3.990230 -1.645890
H 5.577600 1.124684 -0.773576
H 5.723977 -0.602840 -0.247707
H 6.793452 0.652710 0.487731
H -5.392607 3.358043 1.045822
H -6.832843 2.828245 0.125956
H -5.321667 3.234572 -0.741391


