%chk=000131193.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000131193

0 1
 O    5.712200       2.840000     -0.4667000    
 O   -4.392900      -2.540200     -0.1754000    
 O   -7.535100      0.4343000      -2.761400    
 O   -5.459100       1.349900      -2.709700    
 O   -7.616000       2.729300       2.463500    
 O   -8.491400      0.6367000       2.419000    
 N    2.529300      -1.255300      5.6600001E-02
 N    6.201800      -1.827700      0.1407000    
 N    8.071500     -0.2971000      0.1348000    
 N    7.836100       2.032200     -0.1521000    
 N   -4.634700     -0.3098000     -0.7617000    
 N    9.944200       1.036700      0.1566000    
 C    3.928400      -1.003500      0.3907000    
 C    4.390200      0.3354000     -0.2173000    
 C    4.810300      -2.157900     -9.7999997E-02
 C    5.888700      0.5024000     -0.1396000    
 C    6.720300     -0.5480000      4.7499999E-02
 C    1.645600     -0.4951000      0.9272000    
 C    6.463300       1.888800     -0.2664000    
 C   0.1952000     -0.7339000      0.6009000    
 C    8.580200      0.9747000      3.7000000E-02
 C  -0.4529000      7.5999998E-02 -0.3316000    
 C  -0.4999000      -1.766300       1.230900    
 C   -6.040400     -0.3745000      -1.091000    
 C   -2.491300      -1.178700     -4.4000000E-03
 C   -6.945000     -0.1161000      0.1200000    
 C   -1.796200     -0.1465000     -0.6342000    
 C   -1.843200      -1.988700      0.9282000    
 C   -3.892000      -1.410800     -0.3194000    
 C   -6.819800       1.270800      0.7637000    
 C   -6.284000      0.5713000      -2.249000    
 C   -7.723500       1.471400       1.961000    
 H    4.052600     -0.9545000       1.483000    
 H    3.907100       1.162700      0.3152000    
 H    4.090900      0.4052000      -1.271200    
 H    4.665100      -2.334800      -1.170900    
 H    4.561800      -3.087100      0.4270000    
 H    2.328600      -2.248800      0.1749000    
 H    6.873300      -2.580300      0.2488000    
 H    1.836400      0.5818000      0.8492000    
 H    1.816600     -0.7586000       1.979500    
 H    8.676300      -1.098300      0.2771000    
 H   8.0600001E-02  0.8778000     -0.8354000    
 H  -5.7999999E-03  -2.404700       1.958500    
 H   -6.238100      -1.386700      -1.466100    
 H   -6.737500     -0.8753000      0.8857000    
 H   -7.991200     -0.2665000     -0.1769000    
 H   -2.252900      0.4870000      -1.389000    
 H   -2.367900      -2.795600       1.433100    
 H   -4.204800      0.6091000     -0.7872000    
 H   -5.789200       1.429800       1.099300    
 H   -7.072400       2.040600      2.6200000E-02
 H    10.50120      0.2019000      0.3029000    
 H    10.43620       1.921900      0.1014000    
 H   -7.686400       1.035700      -3.521400    
 H   -8.213400       2.869300       3.228800    


%chk=000131193-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000131193

0 1
O 5.941884 2.276345 2.090777
O -4.777424 -2.067147 1.254088
O -7.671992 -0.563715 -2.641618
O -5.505157 0.176564 -3.026389
O -7.170478 3.724247 1.093769
O -8.301913 1.899521 1.978858
N 2.506989 -1.206654 -0.010893
N 6.027963 -1.126490 -1.358698
N 7.984086 0.038525 -0.660407
N 7.986406 1.701812 1.082026
N -4.666527 -0.646191 -0.566860
N 9.979046 1.143758 -0.024935
C 3.979999 -1.102385 0.084023
C 4.419019 0.254302 0.685202
C 4.555769 -1.226273 -1.354309
C 5.890131 0.527754 0.444873
C 6.604396 -0.192166 -0.496039
C 1.750229 -1.065636 1.255509
C 6.570608 1.562496 1.247959
C 0.247975 -1.151351 1.017024
C 8.615501 0.980262 0.172639
C -0.336007 -0.557825 -0.131567
C -0.598189 -1.803256 1.948750
C -6.107280 -0.757042 -0.816439
C -2.576793 -1.251286 0.603262
C -6.977915 0.069791 0.180317
C -1.729274 -0.605995 -0.337090
C -1.991196 -1.851850 1.746336
C -4.072039 -1.358684 0.462535
C -6.651676 1.572725 0.155423
C -6.355166 -0.334612 -2.259704
C -7.467154 2.353185 1.167176
H 4.430361 -1.918949 0.704955
H 4.240767 0.297019 1.775032
H 3.799147 1.059109 0.241663
H 4.117985 -0.417725 -1.969390
H 4.270614 -2.192039 -1.811116
H 2.223209 -2.066154 -0.504116
H 6.564819 -1.961798 -1.599215
H 1.989697 -0.073782 1.685041
H 2.042923 -1.819235 2.027170
H 8.435705 -0.277854 -1.521011
H 0.320542 -0.067142 -0.857176
H -0.162733 -2.275336 2.837847
H -6.410785 -1.815463 -0.695935
H -6.797387 -0.344089 1.186377
H -8.041937 -0.099713 -0.059246
H -2.132158 -0.142700 -1.246133
H -2.654954 -2.357330 2.455241
H -4.121489 -0.120275 -1.254417
H -5.580930 1.746395 0.376713
H -6.831804 2.025877 -0.839277
H 10.554189 0.447728 -0.493053
H 10.425743 1.849352 0.557021
H -7.807538 -0.269375 -3.582934
H -7.710809 4.212151 1.773257


