%chk=000298798.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000298798

0 1
O 1.636853 -3.021230 -0.428377
O 5.269106 2.243107 -0.261252
N -0.537780 -0.902002 1.501192
N -0.528934 -1.258014 -0.879462
N -1.728136 -0.405223 1.425033
N -1.719812 -0.764234 -0.960949
C 1.500877 -1.918517 0.455687
C 2.516886 -0.826022 0.207757
C 2.574941 0.271151 1.090525
C 3.417553 -0.910273 -0.857326
C 0.090845 -1.341289 0.352215
C 3.508744 1.278633 0.900503
C 4.369498 0.091854 -1.071407
C 4.402407 1.178708 -0.190087
C -3.719755 0.241180 0.100919
C -2.365124 -0.319528 0.190034
C -4.383391 0.675099 1.264733
C -4.360791 0.346948 -1.148491
C -5.670634 1.207059 1.174335
C -5.648087 0.880620 -1.227109
C -6.304105 1.310745 -0.068710
C 6.240850 2.257791 -1.335647
H 1.654417 -2.398567 1.459948
H 1.880921 0.329455 1.933082
H 3.389288 -1.772973 -1.526845
H 3.571478 2.136533 1.566795
H 5.060557 0.011289 -1.903280
H 1.418881 -2.770986 -1.359875
H -3.892483 0.596021 2.238965
H -3.852363 0.011650 -2.056956
H -6.182067 1.541950 2.076403
H -6.141985 0.961372 -2.195060
H -7.309405 1.726765 -0.134694
H 5.735315 2.288362 -2.304981
H 6.914165 1.400104 -1.250695
H 6.774574 3.197563 -1.140525


%chk=000298798-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000298798

0 1
O 1.678903 -3.066251 -0.750282
O 5.174750 2.338582 -0.025689
N -0.361011 -0.930636 1.496045
N -0.693254 -1.979300 -0.669712
N -1.604830 -0.381064 1.414306
N -1.937029 -1.432928 -0.772482
C 1.533241 -2.126392 0.349624
C 2.507040 -0.939830 0.219383
C 2.712278 -0.054015 1.310492
C 3.214602 -0.728511 -0.981829
C 0.095760 -1.623229 0.395962
C 3.603981 1.026060 1.194448
C 4.115058 0.353925 -1.112171
C 4.308296 1.234489 -0.019425
C -3.588643 0.178002 0.071044
C -2.319873 -0.551987 0.229650
C -4.031084 1.070495 1.086588
C -4.373041 -0.002892 -1.101949
C -5.241805 1.772983 0.925277
C -5.582270 0.703264 -1.254773
C -6.020350 1.592028 -0.243238
C 5.935519 2.594920 -1.250794
H 1.736015 -2.659729 1.299717
H 2.166262 -0.204996 2.248422
H 3.073654 -1.435733 -1.804433
H 3.775079 1.716485 2.025737
H 4.658233 0.489902 -2.052200
H 0.811566 -3.072940 -1.252263
H -3.420098 1.195994 1.985236
H -4.022780 -0.695894 -1.872496
H -5.580092 2.460042 1.708079
H -6.184164 0.562209 -2.158687
H -6.961283 2.139991 -0.364917
H 5.263633 2.799661 -2.107100
H 6.601340 1.744874 -1.497231
H 6.539699 3.487524 -1.031942


