%chk=000282037.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000282037

0 1
O 3.054787 1.747282 -3.765505
O 3.803590 -2.315820 -2.054992
O 4.441600 1.554701 -0.535641
O -3.977926 0.214274 0.965298
O -5.183635 -0.587935 -0.842786
N 5.728449 -0.350521 -0.790863
N -6.179297 0.067065 1.193689
C 1.365029 0.119926 -0.951501
C 1.651015 1.310878 -1.882420
C 1.719614 -1.213227 -1.636868
C 3.863467 0.041046 -2.321946
C 2.860643 1.121881 -2.754544
C 3.174274 -1.285761 -2.005781
C -0.077872 0.124583 -0.497371
C 4.686240 0.521628 -1.125546
C -0.369630 0.340331 0.861339
C -1.126629 -0.078555 -1.405774
C -1.687072 0.349428 1.312852
C -2.457635 -0.073020 -0.980761
C -2.711621 0.141730 0.374304
C 6.682828 -0.150960 0.263984
C 6.738895 1.033406 1.015602
C 7.587075 -1.204287 0.515070
C 7.704662 1.158412 2.016929
C 8.542755 -1.056142 1.519883
C -5.148643 -0.162436 0.284838
C 8.606294 0.121585 2.273256
C -7.567490 -0.187347 0.930271
C -8.013580 -0.704911 -0.295998
C -8.477156 0.107276 1.965882
C -9.380042 -0.926253 -0.480017
C -9.837437 -0.122979 1.756737
C -10.293581 -0.638418 0.538645
H 2.031669 0.226428 -0.051774
H 0.773874 1.553094 -2.520434
H 1.808525 2.232187 -1.269905
H 1.452474 -2.068412 -0.976060
H 1.103178 -1.370484 -2.549152
H 4.561108 -0.122777 -3.193516
H 0.439286 0.503670 1.575478
H -0.912198 -0.242687 -2.462565
H -1.931143 0.514259 2.360469
H -3.271489 -0.239195 -1.692824
H 5.808341 -1.241425 -1.304130
H 6.037520 1.851378 0.823751
H 7.546588 -2.125448 -0.061850
H 7.751637 2.077603 2.601652
H 9.244555 -1.866278 1.718116
H 9.354963 0.228886 3.054752
H -5.931020 0.441091 2.116190
H -7.307175 -0.933754 -1.099796
H -8.135547 0.508318 2.916706
H -9.733037 -1.328166 -1.430634
H -10.548539 0.102061 2.552005
H -11.356042 -0.814508 0.384954


%chk=000282037-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000282037

0 1
O 3.174075 1.826669 -3.882787
O 4.045717 -2.285993 -1.949216
O 4.488217 1.750162 -0.587626
O -4.029249 0.104241 0.903715
O -5.338062 -0.537845 -0.988210
N 5.753292 -0.238131 -0.724622
N -6.249245 -0.038284 1.140266
C 1.409366 0.106623 -1.056606
C 1.669140 1.287124 -2.038172
C 1.838121 -1.238371 -1.718306
C 3.969802 0.104235 -2.372468
C 2.954530 1.150101 -2.847955
C 3.326122 -1.249962 -2.020763
C -0.041261 0.078080 -0.580459
C 4.760421 0.636125 -1.120948
C -0.360656 0.377582 0.768140
C -1.106556 -0.226820 -1.464673
C -1.695929 0.374578 1.217658
C -2.452411 -0.239042 -1.040041
C -2.735074 0.066112 0.312517
C 6.696752 -0.088337 0.335777
C 6.798790 1.091655 1.118800
C 7.564973 -1.184616 0.586731
C 7.769487 1.156043 2.142012
C 8.527338 -1.103321 1.612716
C -5.238992 -0.198441 0.212552
C 8.635894 0.068777 2.397565
C -7.648561 -0.220369 0.947111
C -8.213143 -0.611149 -0.295256
C -8.491111 0.007802 2.067830
C -9.612465 -0.767052 -0.396423
C -9.886107 -0.152611 1.948688
C -10.457082 -0.541519 0.714369
H 2.049985 0.259090 -0.166296
H 0.831594 1.403691 -2.751383
H 1.735128 2.238202 -1.475751
H 1.595309 -2.106671 -1.081901
H 1.291640 -1.377434 -2.675519
H 4.711788 -0.059374 -3.176833
H 0.442400 0.617799 1.474840
H -0.897496 -0.463810 -2.515380
H -1.946417 0.606332 2.257015
H -3.259625 -0.478419 -1.732619
H 5.761291 -1.143608 -1.216086
H 6.128549 1.930563 0.923337
H 7.483505 -2.096343 -0.018535
H 7.846619 2.068585 2.743490
H 9.191193 -1.954589 1.798303
H 9.384571 0.132178 3.194179
H -5.937500 0.246541 2.071399
H -7.563919 -0.785972 -1.155309
H -8.055180 0.309848 3.028803
H -10.043687 -1.068423 -1.357515
H -10.525448 0.026472 2.819969
H -11.540933 -0.665999 0.621574


