%chk=000088819.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000088819

0 1
 O    2.415800       2.000100      0.6017000    
 O   -3.119200     -0.7680000      0.6588000    
 O    1.094300      -2.219900       2.465300    
 O    1.938400      -3.934200      0.4478000    
 O    2.210200       2.096400      -1.702200    
 O   -3.093600     -0.5768000      -1.648200    
 O  -0.7029000      -1.201500      -3.461700    
 O    1.258200     -0.2154000      -3.480100    
 N   -1.590500       3.088400      0.7601000    
 N   0.3553000     -0.8519000      -2.887600    
 C  -0.5481000      0.9826000     -0.8197000    
 C   0.3070000       2.140600     -0.2901000    
 C   -1.976800      0.9925000     -0.2671000    
 C   0.1140000     -0.3282000     -0.5047000    
 C  -0.2404000       3.133500      0.4476000    
 C   -2.438500       2.034600      0.4600000    
 C   0.5373000      -1.188600      -1.517700    
 C   0.3033000     -0.6784000      0.8322000    
 C    1.749600       2.077700     -0.5756000    
 C   -2.793200     -0.2039000     -0.5292000    
 C   0.4940000       4.333700      0.9812000    
 C   -3.835400       2.169100       1.003000    
 C   0.9160000      -1.889000       1.155900    
 C    1.149900      -2.399200      -1.194100    
 C    1.339300      -2.749300      0.1428000    
 C    3.841100       1.932300      0.4891000    
 C   -3.918600      -1.951900      0.5695000    
 C   0.6331000      -1.285000       3.438600    
 C    4.441900       1.850300       1.876200    
 C   -4.200000      -2.463500       1.966100    
 C    3.358300      -3.926800      0.5821000    
 H  -0.6426000       1.149400      -1.899300    
 H   -1.967800       3.849600       1.313500    
 H  -4.1499998E-02  2.1000000E-02   1.585900    
 H   0.6063000       4.254900       2.067500    
 H    1.487800       4.457700      0.5419000    
 H  -6.3699998E-02   5.250300      0.7588000    
 H   -4.236500       3.163500      0.7768000    
 H   -4.533600       1.445200      0.5733000    
 H   -3.831900       2.039200       2.090200    
 H    1.482000      -3.075900      -1.978500    
 H    4.210200       2.828500     -2.2200000E-02
 H    4.119300       1.043200     -8.7899998E-02
 H   -3.377900      -2.714600     -2.2000000E-03
 H   -4.862000      -1.718300      6.3400000E-02
 H    1.174000     -0.3345000       3.373800    
 H  -0.4533000      -1.153000       3.389100    
 H   0.8559000      -1.709500       4.423100    
 H    5.533000       1.796100       1.827700    
 H    4.066700      0.9684000       2.406200    
 H    4.156600       2.723900       2.471600    
 H   -4.809600      -3.370800       1.935300    
 H   -4.724100      -1.704300       2.555900    
 H   -3.264300      -2.683300       2.491000    
 H    3.830700      -3.632300     -0.3604000    
 H    3.666200      -3.249100       1.384600    
 H    3.683900      -4.939500      0.8353000    


%chk=000088819-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000088819

0 1
O 2.553476 3.081781 -0.134456
O -3.983534 -0.344542 0.065953
O 1.428724 -2.771935 2.906686
O 2.255793 -4.495617 0.801072
O 2.225850 1.168333 -1.418854
O -2.296469 -1.163128 -1.313549
O 1.154830 -2.350110 -3.383449
O 0.115794 -0.371319 -3.039031
N -1.134135 2.278115 1.841751
N 0.685733 -1.436020 -2.591653
C -0.320859 0.598246 -0.351382
C 0.535857 1.756168 0.201620
C -1.735738 0.575678 0.263600
C 0.388365 -0.758845 -0.124108
C 0.126079 2.524348 1.275126
C -2.083609 1.377200 1.334332
C 0.832816 -1.662814 -1.128797
C 0.609532 -1.139130 1.221119
C 1.810298 1.943057 -0.515877
C -2.649532 -0.375903 -0.395225
C 0.873984 3.660420 1.944257
C -3.414219 1.433571 2.058449
C 1.235202 -2.350431 1.584980
C 1.477209 -2.873667 -0.779349
C 1.691973 -3.233895 0.557341
C 3.831315 3.272474 -0.884557
C -4.904297 -1.300229 -0.620657
C 0.889384 -1.928883 3.978394
C 4.463134 4.560822 -0.365546
C -6.294392 -1.078110 -0.031815
C 3.442034 -4.555350 1.681278
H -0.413933 0.718133 -1.441832
H -1.414178 2.857960 2.632698
H 0.260474 -0.454513 2.000467
H 0.381564 3.949848 2.891756
H 1.918498 3.385112 2.151615
H 0.916973 4.544516 1.285693
H -4.204077 1.831729 1.400062
H -3.748753 0.429335 2.359674
H -3.345793 2.075099 2.957197
H 1.811308 -3.550083 -1.568537
H 3.598206 3.320120 -1.963422
H 4.472832 2.388339 -0.716238
H -4.532141 -2.327199 -0.452593
H -4.867574 -1.100750 -1.706644
H 1.376221 -0.934768 3.991269
H -0.205780 -1.808848 3.874882
H 1.119231 -2.468217 4.908854
H 5.413608 4.750157 -0.897203
H 4.680244 4.491302 0.714753
H 3.795843 5.423816 -0.533908
H -7.015766 -1.764724 -0.511380
H -6.636131 -0.042817 -0.204529
H -6.302570 -1.273301 1.054821
H 4.262627 -3.941694 1.261877
H 3.197150 -4.216649 2.701401
H 3.734921 -5.616088 1.686015


