%chk=000018240.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000018240

0 1
 O   -1.179900     -0.3989000      -1.057300    
 O    1.380900     -0.2333000      -1.798400    
 O  -0.2505000      -1.904300      0.4119000    
 N   -4.360900     -0.6765000      0.2466000    
 C   -2.408700      -1.110300      -1.006700    
 C   -3.459100     -0.4159000      -1.870200    
 C   -2.960400      -1.069500      0.4172000    
 C   -4.368300      0.2728000     -0.8649000    
 C   -4.935900     -0.1187000       1.461200    
 C    1.091000     -2.5500000E-02 -0.4010000    
 C  -0.1576000     -0.9041000     -0.2899000    
 C   -4.944100      -1.141500       2.584700    
 C    2.264600     -0.4999000      0.4595000    
 C   0.7951000       1.455200     -0.1518000    
 C    3.538000     -0.4025000     -5.2200001E-02
 C  -0.1011000       1.790500      0.8368000    
 C    2.000600      -1.006000       1.711300    
 C    1.436400       2.394400     -0.9263000    
 C    1.605300      -1.603400      -2.064900    
 C    4.607200     -0.8352000      0.7320000    
 C  -0.3709000       3.140200       1.063600    
 C    3.070000      -1.438600       2.495500    
 C    1.166700       3.743900     -0.6994000    
 C    1.905200      -1.776400      -3.538600    
 C    4.373200      -1.353300       2.005900    
 C   0.2631000       4.116800      0.2954000    
 H   -2.253000      -2.134000      -1.368700    
 H   -4.033800      -1.167200      -2.426100    
 H   -3.030800      0.2939000      -2.584500    
 H   -2.420100     -0.3530000       1.046000    
 H   -2.893400      -2.059700      0.8805000    
 H   -3.946200       1.244100     -0.5767000    
 H   -5.372400      0.4285000      -1.271200    
 H   -4.400700      0.7814000       1.789200    
 H   -5.973300      0.1778000       1.264100    
 H   -5.493100     -0.7431000       3.444700    
 H   -3.934100      -1.384800       2.929600    
 H   -5.439200      -2.068900       2.276900    
 H    3.749400      2.0000000E-02  -1.029500    
 H  -0.5867000       1.049500       1.462000    
 H    1.010700      -1.029600       2.152300    
 H    2.149800       2.126900      -1.699100    
 H    2.438300      -2.044200      -1.513500    
 H   0.7229000      -2.227200      -1.891700    
 H    5.622700     -0.7628000      0.3537000    
 H   -1.070400       3.430800       1.841900    
 H    2.889800      -1.827900       3.493300    
 H    1.662000       4.504700      -1.295700    
 H    2.798000      -1.207300      -3.818200    
 H    1.079800      -1.394600      -4.148900    
 H    2.068300      -2.829200      -3.786800    
 H    5.206300      -1.685600       2.618300    
 H   5.4400001E-02   5.167700      0.4732000    


%chk=000018240-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000018240

0 1
O -1.067598 -1.269088 -0.524975
O 1.124683 -0.091025 -1.485987
O -0.177318 -1.670929 1.584949
N -4.310357 -0.528482 -0.206623
C -2.348294 -1.943707 -0.093754
C -3.135345 -2.194806 -1.391436
C -3.212916 -0.943632 0.717973
C -3.882825 -0.861653 -1.591582
C -4.800637 0.851413 -0.018552
C 1.079957 -0.225095 -0.020625
C -0.083083 -1.158906 0.444190
C -5.478072 1.052598 1.349563
C 2.460188 -0.659363 0.508019
C 0.647909 1.162746 0.512601
C 3.525440 0.269913 0.375631
C 0.785313 1.458830 1.891397
C 2.742071 -1.954740 1.005058
C 0.056857 2.113419 -0.352572
C 1.510798 -1.309368 -2.228248
C 4.840545 -0.082660 0.740374
C 0.351973 2.703358 2.396582
C 4.061128 -2.308977 1.372458
C -0.371534 3.361049 0.155894
C 1.388259 -0.967255 -3.712339
C 5.114410 -1.376992 1.243598
C -0.226083 3.661000 1.529898
H -2.073588 -2.845614 0.476346
H -3.859663 -3.011755 -1.223762
H -2.471344 -2.463521 -2.228842
H -2.579840 -0.083119 1.036440
H -3.618432 -1.413095 1.632391
H -3.189439 -0.098855 -2.025557
H -4.760536 -0.952464 -2.255988
H -3.968729 1.595823 -0.134626
H -5.533706 1.058768 -0.821925
H -5.870735 2.082044 1.439084
H -4.766403 0.892007 2.179585
H -6.315003 0.342349 1.470864
H 3.314088 1.268651 -0.022018
H 1.224807 0.713975 2.563849
H 1.936561 -2.683208 1.131554
H -0.046612 1.868650 -1.412410
H 2.548745 -1.595647 -1.965117
H 0.830679 -2.142212 -1.956709
H 5.649971 0.648267 0.633949
H 0.464649 2.924864 3.463740
H 4.262452 -3.312976 1.762752
H -0.818927 4.097354 -0.521601
H 2.046920 -0.119921 -3.970775
H 0.349558 -0.690014 -3.962263
H 1.679358 -1.836923 -4.329687
H 6.134974 -1.653123 1.531962
H -0.560173 4.628250 1.922373


