%chk=000044978.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000044978

0 1
 O    2.328800     -0.2534000       1.019500    
 O   -3.628900      -1.330600      -1.370400    
 O   -5.289600      0.6913000      -2.047900    
 N   -4.712700      0.6194000     -0.7731000    
 C   0.2252000      0.8939000      0.9725000    
 C   0.9590000     -0.2872000      0.9813000    
 C    4.348900     -0.1519000     -0.2620000    
 C    3.015700     -0.8599000     -6.6399999E-02
 C   -1.819400     -0.3917000      0.9020000    
 C   0.9054000       2.222500       1.005100    
 C   -1.168200      0.8415000      0.9334000    
 C    5.135800     -0.7443000      -1.427600    
 C   0.3164000      -1.520100      0.9505000    
 C   -1.077100      -1.572500      0.9100000    
 C   -3.309100     -0.4476000      0.8605000    
 C    1.208400       2.752600     -0.3933000    
 C    6.447000     -6.6999998E-03  -1.646700    
 C   -3.885700     -0.4553000     -0.5475000    
 H    4.934600     -0.2151000      0.6636000    
 H    4.170100      0.9174000     -0.4300000    
 H    2.425200     -0.7906000     -0.9893000    
 H    3.181400      -1.918500      0.1646000    
 H    1.834000       2.166400       1.586000    
 H   0.2772000       2.948800       1.536700    
 H   -1.748300       1.761400      0.9229000    
 H    4.538800     -0.6921000      -2.345500    
 H    5.344600      -1.803200      -1.236000    
 H   0.8815000      -2.447700      0.9654000    
 H   -1.572100      -2.539800      0.8862000    
 H   -3.669700      -1.355200       1.361800    
 H   -3.724200      0.3837000       1.444500    
 H    1.863200       2.070500     -0.9453000    
 H    1.707000       3.724800     -0.3287000    
 H   0.2895000       2.880100     -0.9756000    
 H    6.269800       1.049200      -1.875100    
 H    7.082600     -6.4199999E-02 -0.7572000    
 H    6.994800     -0.4482000      -2.485000    
 H   -5.039900       1.286400     -8.3800003E-02
 H   -4.659300       1.286200      -2.488500    


%chk=000044978-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000044978

0 1
O 2.260234 0.399139 0.106419
O -4.175937 -1.837759 -0.750220
O -5.682451 -0.004005 -1.929380
N -4.969753 0.295930 -0.714789
C 0.167836 1.212918 0.942724
C 0.887074 0.160839 0.302963
C 4.504871 -0.157908 -0.603443
C 3.065134 -0.668614 -0.515972
C -1.891208 -0.162585 0.784406
C 0.867212 2.501793 1.342313
C -1.213468 1.021934 1.169011
C 5.452147 -1.198081 -1.246072
C 0.230556 -1.031403 -0.087984
C -1.151243 -1.189047 0.152937
C -3.384918 -0.328049 1.069275
C 1.108096 3.450898 0.137204
C 6.907479 -0.691097 -1.335676
C -4.184668 -0.690449 -0.176205
H 4.859341 0.096859 0.413826
H 4.518607 0.779217 -1.192754
H 2.663191 -0.897235 -1.525490
H 3.005002 -1.587433 0.104587
H 1.844657 2.264955 1.801842
H 0.259980 3.025211 2.105367
H -1.770998 1.825798 1.668670
H 5.087065 -1.453810 -2.261718
H 5.424281 -2.137703 -0.657314
H 0.779966 -1.840850 -0.577222
H -1.660289 -2.106675 -0.161685
H -3.552319 -1.148642 1.792632
H -3.785351 0.595110 1.528538
H 1.744734 2.958441 -0.617705
H 1.614808 4.377477 0.464889
H 0.153537 3.731174 -0.344300
H 6.969360 0.230583 -1.943995
H 7.308442 -0.457974 -0.331542
H 7.569126 -1.446374 -1.797340
H -5.037597 1.279675 -0.461835
H -5.411838 -0.971959 -2.063360


