%chk=000085834.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000085834

0 1
 O    3.442500      -1.672100     -0.7224000    
 O  -0.6787000     -0.3425000      2.7200000E-02
 O  -0.9864000       1.059100       1.864300    
 O    3.775800     -0.8629000       1.401200    
 O    2.587200       4.639000      0.4322000    
 O   -6.891200      3.9999999E-02  -1.013000    
 O   -6.835400      -1.696600      0.3286000    
 N    1.901200     -0.2921000      0.1581000    
 N    1.597200       4.694100      -1.642300    
 N   -6.258400     -0.7808000     -0.3060000    
 C    1.262500      0.5667000       1.122600    
 C    4.674900      -2.396000     -0.6336000    
 C    1.744700       2.016100      0.9887000    
 C    1.378200       2.681900     -0.3413000    
 C    5.811700      -1.397200     -0.4219000    
 C    4.861000      -3.150800      -1.948000    
 C    4.582100      -3.372000      0.5385000    
 C  -0.2571000      0.4753000       1.068400    
 C    3.103900     -0.9351000      0.3774000    
 C    1.926000       4.092800     -0.4460000    
 C   -2.068800     -0.4523000     -5.6100000E-02
 C   -2.793900      0.4488000     -0.8360000    
 C   -2.731900      -1.462200      0.6409000    
 C   -4.182000      0.3399000     -0.9186000    
 C   -4.120000      -1.571100      0.5584000    
 C   -4.845100     -0.6702000     -0.2214000    
 H    1.546900      0.1962000       2.115900    
 H    1.324000       2.613200       1.808400    
 H    2.834900       2.045800       1.116700    
 H    1.780400       2.102900      -1.180700    
 H   0.2892000       2.731400     -0.4559000    
 H    1.449800     -0.4280000     -0.7417000    
 H    5.714400     -0.5433000      -1.102500    
 H    5.880600     -0.9936000      0.5913000    
 H    6.780200      -1.873100     -0.6171000    
 H    4.878800      -2.455900      -2.795600    
 H    4.022400      -3.833900      -2.125400    
 H    5.788800      -3.731900      -1.957200    
 H    4.704400      -2.914000       1.523200    
 H    3.617200      -3.892100      0.5409000    
 H    5.371200      -4.130200      0.4674000    
 H    1.897600       5.640700      -1.850300    
 H    1.048800       4.222200      -2.354200    
 H   -2.282000       1.237300      -1.380900    
 H   -2.171900      -2.167000       1.249400    
 H   -4.714000       1.059500      -1.535700    
 H   -4.602700      -2.370300       1.115000    


%chk=000085834-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000085834

0 1
O 3.363793 -1.672770 -0.715220
O -0.753100 -0.138619 0.360336
O -0.824423 0.965454 2.443397
O 3.891540 -0.732787 1.406966
O 3.303622 4.215424 0.157953
O -6.426709 -1.698942 -2.057588
O -7.129163 -0.681086 -0.139388
N 1.861675 -0.334946 0.319096
N 1.345078 5.064733 -0.745680
N -6.203076 -1.083173 -0.944249
C 1.349950 0.510366 1.396965
C 4.698529 -2.397248 -0.876824
C 1.829457 1.995611 1.302705
C 1.355141 2.714874 0.024643
C 5.837986 -1.359346 -0.908785
C 4.519227 -3.086151 -2.240213
C 4.862643 -3.424775 0.260558
C -0.172636 0.475725 1.504679
C 3.120186 -0.902381 0.424000
C 2.091451 4.050671 -0.165582
C -2.146009 -0.322663 0.138766
C -2.430329 -0.997626 -1.073335
C -3.180941 0.107085 1.007399
C -3.762878 -1.251389 -1.435024
C -4.517073 -0.150306 0.640920
C -4.793331 -0.820910 -0.568768
H 1.747367 0.119279 2.354403
H 1.477995 2.532950 2.202199
H 2.932725 1.993788 1.327085
H 1.593540 2.083482 -0.855438
H 0.258748 2.872436 0.031645
H 1.268307 -0.573382 -0.474477
H 5.653602 -0.605288 -1.694489
H 5.935441 -0.848341 0.061984
H 6.791959 -1.868764 -1.137671
H 4.339811 -2.339905 -3.033261
H 3.663871 -3.783332 -2.214382
H 5.430035 -3.657139 -2.494016
H 4.959085 -2.921904 1.235448
H 3.996064 -4.108991 0.290564
H 5.771486 -4.027679 0.080680
H 1.799406 5.960312 -0.925510
H 0.363384 4.947318 -0.989415
H -1.602080 -1.317507 -1.711572
H -2.949168 0.621717 1.939345
H -4.017825 -1.770767 -2.361902
H -5.345359 0.162591 1.281954


