%chk=000298160.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000298160

0 1
O 0.260795 2.244798 0.777745
O 0.252457 -2.244012 -0.779427
N -3.733528 0.008302 -0.002356
N -1.701151 -1.168711 -0.388454
N -1.696782 1.177404 0.384904
N 0.416610 0.000049 -0.000703
C -4.509383 -1.202789 -0.394926
C -4.504969 1.222606 0.388968
C -2.366640 0.005659 -0.002009
C -4.891205 -1.998451 0.828061
C -4.882260 2.019642 -0.834523
C -0.334853 1.094924 0.366473
C -0.338913 -1.091794 -0.368700
C 1.678552 2.340205 0.817841
C 1.669953 -2.345151 -0.818066
C -4.110907 -2.954455 1.326226
C -4.096995 2.971488 -1.332845
C 2.494710 2.046653 -0.275148
C 2.154903 2.895469 2.010970
C 2.486182 -2.054637 0.275656
C 2.145118 -2.902604 -2.010629
C 3.858951 2.330748 -0.157263
C 3.520739 3.175360 2.096057
C 3.849400 -2.344172 0.159070
C 3.509922 -3.187924 -2.094392
C 4.369220 2.893599 1.018219
C 4.358510 -2.909277 -1.015834
H -5.410370 -0.877362 -0.961608
H -3.903259 -1.827959 -1.101039
H -5.407913 0.900833 0.954648
H -3.897155 1.845465 1.095676
H -5.846540 -1.731573 1.276655
H -5.838806 1.757448 -1.283329
H -4.365967 -3.537552 2.199805
H -3.148402 -3.218442 0.896109
H -4.348827 3.555481 -2.206760
H -3.133360 3.230882 -0.902441
H 2.086028 1.592550 -1.177376
H 1.472188 3.103693 2.832120
H 2.078481 -1.598782 1.177439
H 1.462333 -3.108347 -2.832338
H 4.526299 2.110053 -0.990167
H 3.925209 3.612148 3.008593
H 4.516855 -2.125962 0.992543
H 3.913490 -3.626528 -3.006455
H 5.432543 3.112552 1.095974
H 5.421040 -3.132426 -1.092565


%chk=000298160-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000298160

0 1
O 0.307860 2.220399 0.843313
O 0.298914 -2.220128 -0.848745
N -3.681555 0.008418 -0.003043
N -1.667696 -1.146862 -0.415056
N -1.662954 1.155476 0.408680
N 0.429146 -0.000160 -0.002749
C -4.443038 -1.211219 -0.379841
C -4.438049 1.230881 0.374572
C -2.311933 0.005780 -0.003525
C -4.855280 -2.025315 0.836128
C -4.848448 2.046542 -0.840976
C -0.316880 1.074008 0.386914
C -0.321338 -1.071119 -0.392673
C 1.724049 2.416335 0.893107
C 1.714392 -2.421978 -0.895193
C -4.461154 -3.303257 1.054183
C -4.450320 3.323224 -1.059128
C 2.637563 1.937819 -0.071782
C 2.140131 3.249981 1.953709
C 2.626346 -1.952708 0.075675
C 2.130713 -3.251746 -1.958691
C 3.998585 2.299455 0.053772
C 3.502631 3.602029 2.062035
C 3.986246 -2.319534 -0.046753
C 3.492092 -3.609137 -2.063863
C 4.438048 3.126255 1.113089
C 4.426013 -3.142528 -1.108931
H -5.336473 -0.882142 -0.945874
H -3.809881 -1.819523 -1.043365
H -5.332179 0.905201 0.941479
H -3.801955 1.836774 1.037497
H -5.509765 -1.523933 1.565388
H -5.505109 1.547417 -1.569829
H -4.783794 -3.860329 1.941213
H -3.794000 -3.821338 0.355173
H -4.771822 3.881484 -1.945823
H -3.780954 3.839033 -0.360555
H 2.305834 1.284097 -0.878977
H 1.394234 3.610439 2.668151
H 2.294434 -1.302062 0.885310
H 1.385924 -3.605129 -2.677805
H 4.715115 1.928815 -0.687532
H 3.829724 4.247612 2.884230
H 4.701641 -1.956059 0.699175
H 3.819459 -4.251736 -2.888282
H 5.495357 3.399518 1.196590
H 5.482430 -3.419949 -1.189994


