%chk=000207764.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000207764

0 1
O -4.043441 -1.342719 1.945354
O -0.329018 1.318521 -0.394311
O 4.758735 0.909280 -1.942678
O 3.789657 -1.327148 2.382984
O 5.845460 -0.227381 0.562360
N -2.528253 -1.481630 0.267803
N -0.409939 -0.933225 -0.797569
N -5.161700 4.457114 -0.491656
C -1.889037 -0.991614 -0.980131
C -2.214616 -1.931007 -2.165159
C -1.958849 -3.409534 -1.851276
C -2.658725 -3.829945 -0.553467
C -2.273516 -2.909354 0.614458
C -3.521567 -0.786005 0.991074
C 0.248944 0.247609 -0.449107
C -3.895696 0.582927 0.543466
C 1.727422 0.075738 -0.204287
C -3.012541 1.667215 0.667461
C -5.201939 0.794372 0.074134
C 2.153615 -0.553587 0.964134
C 2.627571 0.546550 -1.155434
C -3.414660 2.946169 0.299249
C -5.619550 2.064649 -0.307960
C -4.724862 3.154065 -0.189544
C 4.011129 0.423496 -0.907164
C 3.536378 -0.671500 1.211180
C 4.480546 -0.145462 0.298660
C 6.182912 0.628333 -1.982356
C 5.142396 -1.769016 2.671937
C 6.342957 0.942644 1.277336
H -2.252245 0.054965 -1.205216
H -1.632477 -1.621234 -3.054574
H -3.281067 -1.787369 -2.433923
H -0.871959 -3.604035 -1.777846
H -2.317809 -4.034655 -2.691972
H -3.757996 -3.808620 -0.694658
H -2.406006 -4.876441 -0.300646
H -1.202801 -3.029811 0.881332
H -2.863091 -3.172794 1.527551
H 0.082402 -1.823666 -0.760578
H -1.993904 1.507533 1.039380
H -5.895332 -0.046743 0.010745
H 1.449866 -0.939612 1.700135
H 2.292627 1.020784 -2.077328
H -2.720274 3.777208 0.395018
H -6.631465 2.220273 -0.668399
H -5.972574 4.555284 -1.081091
H -4.457746 5.159387 -0.657074
H 6.398024 -0.394061 -1.653221
H 6.409222 0.770210 -3.046038
H 6.703403 1.359427 -1.358202
H 4.966029 -2.558209 3.412913
H 5.636853 -2.155952 1.774387
H 5.702077 -0.932882 3.099341
H 7.405645 0.708562 1.394388
H 6.191916 1.844004 0.676454
H 5.841073 1.034691 2.244834


%chk=000207764-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000207764

0 1
O -4.535529 -0.345884 1.941604
O -0.073864 1.238604 -0.452621
O 4.773094 2.004599 0.979614
O 4.521113 -2.727372 -0.484280
O 6.106868 -0.513749 0.505387
N -2.507287 -0.783120 0.893256
N -0.341363 -1.065900 -0.239796
N -5.480901 3.920833 -2.753622
C -1.806778 -1.086885 -0.389947
C -2.246888 -2.493307 -0.885465
C -2.027486 -3.589059 0.189531
C -2.673128 -3.186748 1.539158
C -2.223652 -1.769736 1.967612
C -3.738540 -0.097544 0.973254
C 0.430835 0.083477 -0.288934
C -4.111150 0.919881 -0.061778
C 1.917278 -0.110770 -0.125108
C -3.194380 1.815551 -0.678136
C -5.496828 1.073720 -0.344097
C 2.575579 -1.328202 -0.425664
C 2.673810 1.003298 0.309615
C -3.648085 2.810297 -1.562173
C -5.956729 2.051217 -1.239334
C -5.034363 2.940599 -1.868569
C 4.063406 0.885586 0.488533
C 3.970930 -1.458173 -0.241105
C 4.724234 -0.358173 0.260687
C 5.811823 2.536583 0.065564
C 5.726643 -2.796913 -1.342038
C 6.482976 -0.403552 1.939614
H -2.087380 -0.319296 -1.125418
H -1.709899 -2.739305 -1.821389
H -3.324503 -2.431462 -1.127836
H -0.941500 -3.775180 0.340364
H -2.447023 -4.547287 -0.170102
H -3.775642 -3.186358 1.445976
H -2.407899 -3.917978 2.326374
H -1.137708 -1.749238 2.182372
H -2.770958 -1.446698 2.865760
H 0.117435 -1.950104 -0.016315
H -2.123543 1.760305 -0.449228
H -6.206283 0.417518 0.171042
H 2.050844 -2.195691 -0.839503
H 2.175974 1.958187 0.498546
H -2.924436 3.501071 -2.012490
H -7.029743 2.143331 -1.448989
H -6.470858 4.031930 -2.952012
H -4.827318 4.566981 -3.186153
H 5.342044 2.903778 -0.866110
H 6.273139 3.375556 0.607936
H 6.566097 1.764355 -0.169361
H 5.978449 -3.867128 -1.388801
H 5.491280 -2.421318 -2.356421
H 6.555061 -2.217060 -0.904634
H 7.577828 -0.512131 1.962740
H 6.179954 0.578410 2.343355
H 6.007153 -1.218550 2.514733


