%chk=000211210.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000211210

0 1
O 0.829464 3.414505 0.276136
O -6.239220 1.307678 -0.678805
O -3.738543 -2.617156 0.994336
O -6.345620 -1.420415 0.321668
N 4.535851 0.018285 0.523859
N 1.967098 1.453083 0.239680
N 5.819102 -1.393382 -0.899741
C 4.347062 1.439163 0.942869
C 3.342336 -0.583885 -0.153032
C 3.269989 2.156729 0.111026
C 2.035579 -0.019448 0.427585
C 5.801400 -0.363613 0.018081
C 0.789464 2.195505 0.360491
C 7.002287 0.199598 0.527947
C -0.463153 1.415574 0.576923
C 8.217651 -0.319798 0.094637
C -1.431087 1.369106 -0.341958
C 7.022405 -1.878985 -1.292266
C -2.701440 0.643427 -0.143113
C 8.244383 -1.373241 -0.827429
C -2.702553 -0.664793 0.345476
C -3.907734 1.291135 -0.451618
C -5.116968 0.608117 -0.280449
C -3.922947 -1.355592 0.500135
C -5.144582 -0.733982 0.164921
C -7.346234 1.329243 0.264696
C -4.904985 -3.427525 1.296749
C -6.943832 -1.798225 -0.954111
H 5.298384 2.012854 0.889316
H 4.050254 1.414040 2.019024
H 3.386437 -1.687353 0.012642
H 3.378481 -0.431010 -1.256873
H 3.555828 2.193296 -0.964949
H 3.153067 3.216729 0.446488
H 1.959587 -0.262643 1.513154
H 1.170397 -0.500750 -0.083645
H 6.973081 1.002828 1.257174
H -0.546449 0.938582 1.555506
H -1.338491 1.885968 -1.305102
H 9.152205 0.093717 0.475998
H 6.983861 -2.702233 -2.016528
H 9.184307 -1.788323 -1.173795
H -1.777845 -1.176182 0.603187
H -3.923758 2.319148 -0.810015
H -7.075034 1.981040 1.100398
H -8.150937 1.764761 -0.337448
H -7.597988 0.321135 0.613559
H -5.375987 -3.749720 0.364607
H -4.456721 -4.267254 1.840170
H -5.613211 -2.868620 1.919068
H -6.283235 -2.487165 -1.485705
H -7.870806 -2.287051 -0.639811
H -7.142802 -0.903704 -1.554616


%chk=000211210-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000211210

0 1
O 0.694802 3.156149 -0.584575
O -6.348398 1.388546 0.625007
O -3.967122 -2.887484 -0.175851
O -6.446051 -1.491702 0.347693
N 4.736147 0.397328 -0.499108
N 2.106486 1.348556 -1.004716
N 5.930522 -1.586793 -0.039016
C 4.433513 1.826292 -0.271206
C 3.878182 -0.332369 -1.448931
C 3.255409 2.263816 -1.160356
C 2.388038 -0.108254 -1.123972
C 5.749633 -0.244644 0.206526
C 0.852660 1.892114 -0.704458
C 6.569113 0.460914 1.148846
C -0.277525 0.935011 -0.538245
C 7.575824 -0.246380 1.828572
C -1.529473 1.407567 -0.256869
C 6.912471 -2.242287 0.636209
C -2.759496 0.626742 -0.068062
C 7.766039 -1.628745 1.578481
C -2.801301 -0.792985 -0.142604
C -3.964087 1.326056 0.219259
C -5.175640 0.632779 0.394561
C -4.011576 -1.495793 0.017354
C -5.226496 -0.783973 0.254678
C -7.034385 1.105007 1.907792
C -4.579252 -3.737613 0.869800
C -7.393226 -1.208067 -0.762506
H 5.315530 2.459520 -0.505868
H 4.173725 1.996133 0.794476
H 4.135180 -1.400200 -1.364159
H 4.091389 -0.015931 -2.490119
H 3.571028 2.307113 -2.221529
H 2.906448 3.269341 -0.873377
H 2.145457 -0.621417 -0.173041
H 1.776202 -0.562276 -1.928913
H 6.421441 1.526254 1.341635
H -0.090748 -0.138134 -0.647834
H -1.617630 2.500035 -0.166571
H 8.210595 0.278160 2.551584
H 7.010683 -3.309381 0.402094
H 8.541172 -2.205699 2.090047
H -1.902108 -1.382994 -0.342138
H -3.971178 2.417210 0.309742
H -6.374600 1.368777 2.755813
H -7.924269 1.752452 1.910201
H -7.327176 0.041982 1.973963
H -5.651915 -3.511880 0.983222
H -4.431463 -4.769635 0.517394
H -4.053885 -3.591296 1.833384
H -6.952775 -1.532708 -1.722700
H -8.292809 -1.800905 -0.537710
H -7.635305 -0.131112 -0.797402


