%chk=000281027.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000281027

0 1
O 0.219627 0.595381 0.419559
O 1.392704 1.348093 2.203730
N -0.792710 -1.270894 2.455046
C -1.683133 -0.539581 1.478760
C -1.045334 0.833959 1.110562
C -1.904638 -1.393625 0.242671
C -1.904922 1.620542 0.150071
C -1.331047 -2.635933 2.744808
C -0.657592 -0.509530 3.734388
C -3.212508 -1.726783 -0.139370
C -0.820962 -1.850238 -0.523212
C -1.776406 1.446446 -1.234619
C -2.838969 2.536258 0.656541
C 1.394241 0.823399 1.113115
C 2.527186 0.344534 0.294473
C 3.177984 -0.849913 0.668912
C 2.952938 1.071446 -0.835679
C -3.431378 -2.511431 -1.275823
C -1.044524 -2.634787 -1.656351
C -2.577467 2.186081 -2.108659
C -3.640687 3.270083 -0.221885
C -2.349723 -2.968379 -2.034291
C -3.510671 3.097186 -1.604022
C 4.703101 -0.576103 -1.205055
C 4.266775 -1.301558 -0.087798
C 4.045528 0.607333 -1.576377
C 2.705231 -1.612386 1.857854
C 2.247694 2.326974 -1.225893
C 5.869674 -1.052361 -2.008043
H -2.681861 -0.300655 1.941992
H -0.828124 1.425002 2.037079
H -1.317978 -3.236847 1.819211
H -2.352381 -2.653055 3.150888
H -0.663995 -3.139377 3.461936
H -0.033936 -1.087117 4.434864
H -1.603572 -0.267459 4.236553
H -0.103326 0.431195 3.537436
H -4.062201 -1.371851 0.439926
H 0.195449 -1.572946 -0.227380
H -1.049658 0.725444 -1.617920
H -2.941048 2.681898 1.730108
H -4.447879 -2.764654 -1.570209
H -0.200047 -2.985016 -2.247105
H -2.476574 2.047914 -3.183777
H -4.366185 3.979821 0.171362
H -2.522134 -3.579484 -2.917234
H 4.775085 -2.219040 0.196444
H 4.386785 1.165038 -2.444230
H -4.135505 3.671114 -2.285436
H 1.617361 -1.819465 1.808647
H 3.211452 -2.575111 1.987140
H 2.854531 -1.032304 2.783784
H 2.450823 3.135413 -0.506362
H 2.541611 2.694757 -2.216622
H 1.152606 2.184465 -1.245499
H 5.608662 -1.158598 -3.070889
H 6.705138 -0.338757 -1.950123
H 6.252689 -2.024436 -1.671296


%chk=000281027-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000281027

0 1
O 0.225123 0.534107 0.350299
O 1.448783 1.206720 2.224448
N -0.923772 -1.356213 2.428705
C -1.721172 -0.609237 1.407046
C -1.060799 0.777253 1.066591
C -1.969009 -1.446738 0.151213
C -1.941306 1.666092 0.204834
C -1.483018 -2.708469 2.691405
C -0.788367 -0.615624 3.710375
C -3.282937 -1.586715 -0.356615
C -0.899883 -2.081605 -0.533422
C -2.010756 1.512540 -1.202581
C -2.728337 2.665873 0.828600
C 1.416999 0.739501 1.059525
C 2.608660 0.299537 0.264372
C 3.464878 -0.688398 0.836834
C 2.894493 0.869818 -1.011501
C -3.532215 -2.339078 -1.527591
C -1.145579 -2.834770 -1.701802
C -2.854172 2.345812 -1.968969
C -3.580556 3.494068 0.063521
C -2.462237 -2.965593 -2.205720
C -3.644362 3.336445 -1.340010
C 4.915925 -0.551697 -1.162846
C 4.599214 -1.105065 0.100720
C 4.051704 0.434513 -1.698100
C 3.169654 -1.308744 2.192446
C 2.009217 1.935972 -1.634618
C 6.161862 -0.984370 -1.915410
H -2.724379 -0.334210 1.832758
H -0.821791 1.301194 2.007941
H -1.509726 -3.302543 1.765801
H -2.519167 -2.674935 3.112157
H -0.834123 -3.227565 3.418313
H -0.292676 -1.273468 4.445266
H -1.778084 -0.311283 4.136108
H -0.151582 0.274483 3.590230
H -4.116318 -1.098626 0.163651
H 0.116527 -1.982746 -0.141989
H -1.406336 0.740647 -1.689053
H -2.666738 2.804844 1.915421
H -4.555869 -2.435065 -1.906890
H -0.310253 -3.319175 -2.220475
H -2.898073 2.219440 -3.056588
H -4.182530 4.264668 0.558084
H -2.650826 -3.551647 -3.112559
H 5.250526 -1.877870 0.527839
H 4.283678 0.877547 -2.674898
H -4.298336 3.981796 -1.937410
H 2.118626 -1.647516 2.266956
H 3.830372 -2.172373 2.378586
H 3.320294 -0.572508 3.002695
H 1.790278 2.754976 -0.925177
H 2.493309 2.376368 -2.522741
H 1.034545 1.517154 -1.940253
H 5.985819 -1.017407 -3.005498
H 6.996078 -0.277086 -1.740665
H 6.504521 -1.982927 -1.592656


