%chk=000152568.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000152568

0 1
 O    4.402600       3.844200     -0.4505000    
 O   -5.458000       2.444100       2.033700    
 O   -6.346500       2.860600     -1.6600000E-02
 N  -0.9942000     -0.5020000      -1.298600    
 N    2.239600      -2.358100      0.6161000    
 N    4.807500       1.680800      0.3946000    
 C   0.1022000      -1.131400     -0.6489000    
 C    1.270400     -0.4041000     -0.3992000    
 C   3.8999999E-03  -2.472700     -0.2654000    
 C    2.329100      -1.066300      0.2447000    
 C    1.112200      -3.054100      0.3733000    
 C    1.396700      0.9450000     -0.7738000    
 C    3.494800     -0.3475000      0.4959000    
 C    3.623800      0.9932000      0.1251000    
 C   -1.157800      -3.227800     -0.5038000    
 C    2.572700       1.641200     -0.5111000    
 C   -2.099200      0.2070000     -0.8096000    
 C    1.020500      -4.389200      0.7576000    
 C   -1.224000      -4.560700     -0.1097000    
 C  -0.1325000      -5.142400      0.5223000    
 C   -3.049000      0.7325000      -1.693100    
 C   -2.264800      0.3960000      0.5671000    
 C   -4.149600       1.437600      -1.206200    
 C   -3.365500       1.101100       1.053900    
 C   -4.308000       1.621800      0.1673000    
 C    5.118800       3.015200      0.1015000    
 C   -5.454900       2.357600      0.6751000    
 C    6.509500       3.378300      0.5584000    
 H  -0.9535000     -0.5894000      -2.309700    
 H   0.5953000       1.479600      -1.277300    
 H    4.324900     -0.8468000      0.9946000    
 H   -2.027800      -2.805500     -0.9999000    
 H    2.593500       2.673500     -0.8306000    
 H    1.862500      -4.867800       1.254400    
 H   -2.121900      -5.142000     -0.2960000    
 H  -0.1736000      -6.182000      0.8337000    
 H   -2.939000      0.5967000      -2.766300    
 H   -1.546400      1.3000000E-03   1.281000    
 H    5.529200       1.136500      0.8627000    
 H   -4.872600       1.835500      -1.913500    
 H   -3.449800       1.221400       2.130300    
 H    6.581600       3.269800       1.644200    
 H    6.729300       4.415100      0.2892000    
 H    7.241400       2.724400      7.5999998E-02
 H   -6.235600       2.941500       2.365900    


%chk=000152568-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000152568

0 1
O 5.206454 3.707488 -0.635329
O -6.546736 1.056916 1.862090
O -7.078812 2.037947 -0.175839
N -0.917201 0.135331 -1.142329
N 2.256246 -2.144501 0.681062
N 5.359715 1.502659 0.170692
C 0.095322 -0.627107 -0.500742
C 1.388168 -0.040654 -0.330739
C -0.113611 -1.985393 -0.096992
C 2.449940 -0.859050 0.244711
C 1.007845 -2.689013 0.523863
C 1.697739 1.320752 -0.674176
C 3.759895 -0.299285 0.385917
C 4.033372 1.018114 0.003363
C -1.338200 -2.706428 -0.320614
C 2.974914 1.847396 -0.523557
C -2.221760 0.412713 -0.689370
C 0.817453 -4.046502 0.964972
C -1.476269 -4.026422 0.100415
C -0.394732 -4.698742 0.766414
C -3.116981 1.086128 -1.573746
C -2.662254 0.084018 0.625831
C -4.413844 1.414889 -1.156589
C -3.964530 0.413671 1.033028
C -4.857724 1.079121 0.151257
C 5.885421 2.764345 -0.134535
C -6.234135 1.444966 0.543377
C 7.368227 2.926869 0.192549
H -0.613034 0.676215 -1.955185
H 0.902458 1.982327 -1.035139
H 4.529671 -0.952563 0.812576
H -2.167261 -2.212108 -0.834042
H 3.199931 2.883316 -0.782493
H 1.670905 -4.536113 1.443614
H -2.414340 -4.561418 -0.082483
H -0.526186 -5.733506 1.101193
H -2.786687 1.339778 -2.588614
H -1.980891 -0.411259 1.322754
H 6.016983 0.829016 0.570476
H -5.107085 1.929741 -1.829704
H -4.302349 0.167737 2.043548
H 7.483488 3.727917 0.943268
H 7.899594 3.254655 -0.717043
H 7.849517 2.010248 0.575546
H -7.480836 1.337490 2.055546


