%chk=000020609.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000020609

0 1
 O   0.4404000      0.6004000      0.4799000    
 O  -0.5843000       2.567900       1.094400    
 O   -5.366500      0.7185000       1.445200    
 O   -3.085700      -1.893100      -1.858800    
 O   -5.414300      -1.248400     -0.5048000    
 N    5.433900     -0.8562000      0.4895000    
 C    2.770800      0.2147000     -0.1005000    
 C    4.060300      0.8979000     -0.5906000    
 C    1.651000       1.247900      9.8399997E-02
 C    3.800600       1.672600      -1.889000    
 C    3.066700     -0.5815000       1.176900    
 C    5.182300     -0.1369000     -0.7685000    
 C    1.402700       2.048500      -1.182000    
 C    2.679300       2.694900      -1.709000    
 C    4.229400      -1.553900      0.9593000    
 C    6.540800      -1.798700      0.3276000    
 C    6.897900      -2.458200       1.648900    
 C  -0.6277000       1.414700      0.6947000    
 C   -1.895200      0.7105000      0.3759000    
 C   -1.889300     -0.2654000     -0.5994000    
 C   -3.039800       1.052600       1.066700    
 C   -4.230400      0.3898000      0.7690000    
 C   -3.080000     -0.9282000     -0.8972000    
 C   -4.250600     -0.6005000     -0.2130000    
 C   -5.637400     -2.0999999E-03   2.645900    
 C   -2.820300      -3.229500      -1.437400    
 C   -6.234600     -0.6783000      -1.522100    
 H    2.434400     -0.5080000     -0.8588000    
 H    4.385600       1.621900      0.1715000    
 H    1.946600       1.931400      0.9064000    
 H    3.532500      0.9766000      -2.693900    
 H    4.713700       2.190200      -2.205900    
 H    3.310100      0.1045000       1.998800    
 H    2.179400      -1.146600       1.485600    
 H    4.925300     -0.8386000      -1.573500    
 H    6.094300      0.3903000      -1.076000    
 H   0.9812000       1.387100      -1.950700    
 H   0.6581000       2.837300      -1.033500    
 H    2.475100       3.187700      -2.666300    
 H    3.006800       3.475800      -1.011500    
 H    3.927100      -2.334900      0.2492000    
 H    4.399600      -2.037300       1.926500    
 H    7.427600      -1.255000     -2.1100000E-02
 H    6.316300      -2.567000     -0.4230000    
 H    7.863900      -2.967000       1.553800    
 H    6.171900      -3.220800       1.946400    
 H    6.994200      -1.724000       2.456200    
 H  -0.9909000     -0.5248000      -1.152600    
 H   -3.028600       1.821300       1.834500    
 H   -4.841400      0.1618000       3.379100    
 H   -6.578400      0.3676000       3.062400    
 H   -5.742800      -1.071600       2.438300    
 H   -3.570500      -3.561600     -0.7129000    
 H   -2.868400      -3.881200      -2.314000    
 H   -1.818800      -3.302100      -1.001500    
 H   -6.554600      0.3295000      -1.239400    
 H   -7.121800      -1.306700      -1.638400    
 H   -5.699800     -0.6484000      -2.476700    


%chk=000020609-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000020609

0 1
O 0.519959 0.711613 -0.252972
O -0.481078 2.405481 1.006024
O -5.401225 0.936280 1.157110
O -3.007252 -2.641249 -1.299405
O -5.475604 -1.584622 -0.246874
N 5.433487 -0.930043 0.404699
C 2.938102 0.416668 -0.419941
C 4.317357 1.134136 -0.470755
C 1.826585 1.455462 -0.205915
C 4.340851 2.229659 -1.563123
C 2.962908 -0.682596 0.665230
C 5.437033 0.092666 -0.671209
C 1.822630 2.548316 -1.291015
C 3.199992 3.251568 -1.352959
C 4.137754 -1.654035 0.439355
C 6.606746 -1.835256 0.304607
C 6.828000 -2.691652 1.565595
C -0.565769 1.315603 0.382600
C -1.819932 0.520986 0.231419
C -1.838067 -0.733918 -0.423020
C -3.011172 1.055327 0.782048
C -4.218657 0.348775 0.651064
C -3.048623 -1.446272 -0.560485
C -4.260235 -0.891742 -0.052701
C -6.061289 0.172870 2.242313
C -3.593974 -3.844391 -0.667386
C -6.437337 -0.882456 -1.137240
H 2.767191 -0.064392 -1.408483
H 4.488166 1.613203 0.517128
H 1.906347 1.920278 0.797077
H 4.232150 1.756504 -2.561803
H 5.321124 2.746361 -1.557311
H 3.073258 -0.213489 1.663075
H 2.010324 -1.243784 0.659861
H 5.315147 -0.375881 -1.686699
H 6.420007 0.602171 -0.662111
H 1.599958 2.074086 -2.267442
H 1.022582 3.279278 -1.078548
H 3.196744 4.000667 -2.167104
H 3.373154 3.806823 -0.408599
H 3.970715 -2.219213 -0.518097
H 4.164140 -2.395164 1.257136
H 7.497492 -1.195714 0.150751
H 6.533218 -2.503813 -0.594128
H 7.783122 -3.243053 1.487996
H 6.027285 -3.438127 1.713046
H 6.866753 -2.045419 2.460231
H -0.923189 -1.156639 -0.843491
H -2.992034 2.015102 1.305765
H -5.400942 0.128118 3.128811
H -6.973337 0.739465 2.483744
H -6.316591 -0.848721 1.908000
H -4.662400 -3.691075 -0.444373
H -3.461173 -4.647351 -1.408141
H -3.041183 -4.093264 0.259079
H -6.682219 0.114048 -0.729855
H -7.331882 -1.522908 -1.162716
H -6.007418 -0.787874 -2.150863


