%chk=000039051.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000039051

0 1
 O    3.790100       1.624500      0.4964000    
 O    4.099400     -0.2336000     -0.8000000    
 N    1.977500      0.7076000     -0.5961000    
 C   3.2099999E-02 -0.7509000      -1.168300    
 C    1.381200     -0.1484000      -1.633800    
 C  -0.8699000      0.2821000     -0.5208000    
 C  -0.3368000       1.460200      2.7600000E-02
 C    1.138300       1.761200     -1.1200000E-02
 C   -4.567700      0.7310000      0.2081000    
 C   -3.099900      0.9862000      0.1455000    
 C   0.2499000      -1.981800     -0.2916000    
 C   -2.254200      5.3199999E-02 -0.4525000    
 C    1.245000      0.6287000      -2.950800    
 C   -1.199800       2.392800      0.6237000    
 C   -2.572800       2.156500      0.6825000    
 C    3.353900      0.6271000     -0.3361000    
 C   -5.042500     -0.6182000     -0.4272000    
 C   -5.073800      0.6952000       1.683600    
 C   -5.367900       1.844400     -0.5365000    
 C   0.3240000      -3.239300     -0.8789000    
 C   0.3725000      -1.832300       1.084700    
 C   0.5232000      -4.363800     -7.8199998E-02
 C   0.5719000      -2.957100       1.885300    
 C   0.6472000      -4.222800       1.303800    
 C    5.187600       1.618400      0.8089000    
 C    5.491600       2.779300       1.731800    
 H  -0.4951000      -1.096500      -2.070500    
 H    2.077600     -0.9699000      -1.846200    
 H    1.308200       2.664800     -0.6091000    
 H    1.486000       1.959700       1.009100    
 H   -2.626700     -0.8708000     -0.8830000    
 H    2.216600       1.024100      -3.266600    
 H   0.8721000     -2.3100000E-02  -3.747800    
 H   0.5598000       1.477700      -2.860000    
 H  -0.8016000       3.311400       1.048100    
 H   -3.206400       2.902500       1.153500    
 H   -4.589100      -1.480600      7.5400002E-02
 H   -4.799000     -0.6675000      -1.494900    
 H   -6.129900     -0.7335000     -0.3416000    
 H   -4.548400     -7.8199998E-02   2.256400    
 H   -6.147400      0.4791000       1.732000    
 H   -4.913400       1.651000       2.194500    
 H   -5.057900       1.910600      -1.586100    
 H   -5.215100       2.830300     -8.3999999E-02
 H   -6.445200       1.642800     -0.5158000    
 H   0.2316000      -3.361200      -1.954500    
 H   0.3357000     -0.8633000       1.571400    
 H   0.5829000      -5.349200     -0.5309000    
 H   0.6725000      -2.847300       2.961100    
 H   0.8036000      -5.098200       1.927100    
 H    5.768400       1.718000     -0.1147000    
 H    5.446700      0.6753000       1.303000    
 H    6.553600       2.804800       1.991700    
 H    5.220100       3.728800       1.258600    
 H    4.903700       2.703600       2.652500    


%chk=000039051-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000039051

0 1
O 3.703122 1.483488 0.528446
O 4.032014 -0.276752 -0.995978
N 1.927448 0.743894 -0.738941
C 0.010024 -0.754003 -1.221022
C 1.305854 -0.092936 -1.793468
C -0.896831 0.301602 -0.590451
C -0.358528 1.507939 -0.083729
C 1.129324 1.830971 -0.142259
C -4.704563 0.752520 0.202848
C -3.181624 0.998119 0.085985
C 0.355361 -1.908886 -0.269005
C -2.293368 0.067742 -0.497971
C 1.036497 0.722866 -3.079299
C -1.238505 2.457003 0.494783
C -2.619059 2.208841 0.582396
C 3.268088 0.571121 -0.458497
C -5.131558 -0.613770 -0.392444
C -5.114865 0.778678 1.706547
C -5.470280 1.877539 -0.557381
C 0.552698 -3.210429 -0.798028
C 0.531663 -1.710286 1.123338
C 0.921764 -4.286915 0.037921
C 0.902818 -2.784381 1.963224
C 1.100250 -4.076500 1.424919
C 5.131543 1.333540 0.924059
C 5.398524 2.384627 1.997625
H -0.522961 -1.193110 -2.088781
H 2.041853 -0.882963 -2.019010
H 1.277199 2.774100 -0.712752
H 1.519010 2.022185 0.871914
H -2.676775 -0.879182 -0.892976
H 1.975522 1.171499 -3.448247
H 0.638064 0.063611 -3.872011
H 0.302487 1.530984 -2.910146
H -0.831843 3.399210 0.884776
H -3.265552 2.965256 1.041860
H -4.640844 -1.457779 0.126526
H -4.895629 -0.682969 -1.470604
H -6.224082 -0.740894 -0.279879
H -4.594849 -0.017854 2.269543
H -6.205284 0.620701 1.807704
H -4.866511 1.745320 2.180387
H -5.204239 1.878666 -1.630362
H -5.238144 2.877968 -0.149994
H -6.562189 1.721678 -0.470580
H 0.416510 -3.381343 -1.874025
H 0.364976 -0.716177 1.552209
H 1.068521 -5.285621 -0.389098
H 1.035875 -2.613584 3.037819
H 1.386205 -4.909410 2.077224
H 5.762332 1.476407 0.028065
H 5.289792 0.304130 1.293195
H 6.451746 2.322823 2.327565
H 5.215400 3.401196 1.608628
H 4.749602 2.224917 2.876030


