%chk=000215312.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000215312

0 1
O -0.040783 1.500080 1.612856
O 0.073684 -1.609049 -1.150131
N -1.122823 -0.819024 0.649239
N -1.038360 1.891198 -1.390195
N -2.888708 2.164299 -0.097663
N -2.180499 1.557591 -2.042370
N -3.286632 1.732919 -1.249989
C 4.994131 -0.443482 -0.300579
C 3.654443 0.100546 0.206100
C 6.183487 0.149811 0.477913
C 5.116304 -0.065212 -1.789259
C 5.033110 -1.975866 -0.140733
C 2.469042 -0.575286 -0.118393
C 3.569186 1.287616 0.950872
C 1.211239 -0.110558 0.301200
C 1.172758 1.067926 1.060499
C 2.334985 1.777918 1.380090
C 0.025912 -0.907495 -0.151392
C -0.626811 2.680606 1.007603
C -2.362824 -1.494291 0.403793
C -1.467948 2.270451 -0.149906
C -2.478319 -2.552051 -0.513527
C -3.486781 -1.063890 1.141473
C -3.715140 -3.177925 -0.682097
C -4.711527 -1.703077 0.955825
C -4.831960 -2.761536 0.047655
H 6.105218 -0.057826 1.550537
H 6.264204 1.233413 0.345034
H 7.130408 -0.282307 0.134068
H 5.087029 1.020177 -1.931475
H 6.055851 -0.429586 -2.217048
H 4.300209 -0.492039 -2.383446
H 4.280266 -2.475468 -0.761113
H 4.854888 -2.273805 0.898192
H 6.006758 -2.381048 -0.436445
H 2.503289 -1.487919 -0.728087
H 4.471885 1.846928 1.203894
H 2.271264 2.688052 1.972408
H -1.118259 -0.160090 1.446552
H 0.156769 3.405257 0.715925
H -1.245673 3.080279 1.842019
H -1.609926 -2.881012 -1.092156
H -3.409932 -0.232194 1.839034
H -3.805045 -4.000229 -1.391504
H -5.582105 -1.370439 1.520571
H -5.790624 -3.254445 -0.090304
H -2.185742 1.184580 -2.991939


%chk=000215312-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000215312

0 1
O -0.200303 1.488441 0.143643
O 0.544135 -2.608939 -0.739577
N -1.079236 -1.038601 -0.102759
N -2.383699 4.266790 -0.222199
N -2.886897 2.332525 0.914272
N -3.728095 4.079350 -0.056551
N -4.074942 2.917223 0.617818
C 5.191309 -0.693186 -0.065754
C 3.778763 -0.070397 0.018628
C 6.308637 0.344476 0.212590
C 5.408446 -1.279472 -1.493491
C 5.313606 -1.839159 0.983913
C 2.636443 -0.879335 -0.199776
C 3.552682 1.295321 0.311915
C 1.309657 -0.392445 -0.140250
C 1.130971 0.996524 0.136878
C 2.245691 1.828718 0.368118
C 0.224865 -1.432866 -0.365537
C -0.417810 2.888151 0.522871
C -2.263840 -1.823868 -0.166273
C -1.884013 3.156960 0.402525
C -2.293737 -3.172419 -0.617061
C -3.470383 -1.194081 0.252292
C -3.524331 -3.864224 -0.646707
C -4.688264 -1.900625 0.213909
C -4.725689 -3.241791 -0.236998
H 6.225415 0.775099 1.228042
H 6.293035 1.171323 -0.521877
H 7.295281 -0.147847 0.139159
H 5.351529 -0.484249 -2.259481
H 6.404119 -1.756711 -1.562185
H 4.648495 -2.041885 -1.739759
H 4.560495 -2.628904 0.815383
H 5.174263 -1.451078 2.009740
H 6.314558 -2.306201 0.922491
H 2.727751 -1.946935 -0.428924
H 4.394878 1.967886 0.498067
H 2.119518 2.892809 0.588693
H -1.200832 -0.051175 0.163191
H 0.126396 3.573141 -0.153485
H -0.065041 3.047441 1.561777
H -1.363946 -3.650653 -0.928431
H -3.444563 -0.159512 0.615689
H -3.539217 -4.903427 -0.995232
H -5.608213 -1.403089 0.541320
H -5.673309 -3.790798 -0.264706
H -4.424682 4.734190 -0.412311


