%chk=000258874.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000258874

0 1
O -3.860299 -2.182617 -1.040438
O -4.448109 0.366147 -0.088022
N -0.462797 -1.160158 -0.084332
N 2.323611 -0.362854 -0.138308
C 0.178486 -0.660214 -1.345332
C 0.564030 -1.868990 0.748935
C 1.305150 0.329363 -0.988326
C 1.692097 -0.883056 1.114206
C -1.615776 -2.063804 -0.386903
C -2.849581 -1.204340 -0.725384
C 3.607701 0.242844 -0.024940
C -3.309023 -0.340189 0.459026
C 4.089713 1.100952 -1.041698
C 4.472504 -0.099468 1.041479
C -5.126096 1.211733 0.876350
C 5.394360 1.586932 -0.988284
C 5.773721 0.397637 1.075637
C 6.244576 1.244671 0.067783
C -6.255460 1.844387 0.061080
C -7.088299 2.791550 0.915767
H -0.593104 -0.131772 -1.946265
H 0.585066 -1.480225 -1.977780
H 0.994520 -2.759359 0.239719
H 0.075904 -2.222737 1.682428
H 0.880704 1.219588 -0.472230
H 1.786821 0.686089 -1.927378
H 2.458298 -1.416813 1.721750
H 1.286674 -0.056319 1.739654
H -1.434672 -2.774967 -1.223310
H -1.848801 -2.697505 0.497116
H -2.698272 -0.575322 -1.631400
H -3.627381 -0.946889 1.322037
H -2.530394 0.380824 0.764722
H 3.450855 1.373586 -1.879104
H 4.133075 -0.765056 1.832216
H -4.742250 -1.741733 -1.057261
H -5.499587 0.585871 1.703990
H -4.413143 1.959307 1.262535
H 5.753932 2.243421 -1.780591
H 6.430496 0.122102 1.900673
H 7.258501 1.630178 0.103508
H -6.891088 1.045569 -0.371431
H -5.824654 2.378368 -0.810455
H -7.553967 2.274206 1.762785
H -7.896679 3.242153 0.326766
H -6.485268 3.613107 1.320010


%chk=000258874-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000258874

0 1
O -3.894631 -2.189029 -1.036377
O -4.552009 0.369672 -0.254574
N -0.419409 -1.163307 -0.078182
N 2.358167 -0.315045 -0.048700
C 0.266327 -0.734395 -1.321816
C 0.565957 -1.811734 0.821354
C 1.404738 0.256619 -1.017781
C 1.692652 -0.826932 1.171899
C -1.606537 -2.016489 -0.333519
C -2.833039 -1.204513 -0.781747
C 3.674049 0.210052 0.030013
C -3.300236 -0.198472 0.276465
C 4.087117 1.322675 -0.765731
C 4.652514 -0.387982 0.884020
C -5.227352 1.268626 0.691022
C 5.415762 1.796706 -0.717277
C 5.972106 0.101231 0.931038
C 6.373284 1.196920 0.129801
C -6.509736 1.780558 0.027600
C -7.296537 2.735298 0.952210
H -0.460006 -0.240122 -1.991291
H 0.690971 -1.615317 -1.867773
H 1.012763 -2.725536 0.353369
H 0.052892 -2.117249 1.751836
H 0.967718 1.212140 -0.643210
H 1.932337 0.466479 -1.964099
H 2.425303 -1.335863 1.816428
H 1.257077 0.018769 1.752665
H -1.413051 -2.802386 -1.102696
H -1.872833 -2.542277 0.602558
H -2.617846 -0.644524 -1.717554
H -3.499798 -0.717781 1.239964
H -2.538816 0.590680 0.436076
H 3.371503 1.840296 -1.410925
H 4.394264 -1.259906 1.493305
H -4.738821 -1.667309 -1.100808
H -5.460821 0.719284 1.631304
H -4.552683 2.115993 0.947648
H 5.696856 2.653601 -1.341124
H 6.697336 -0.388018 1.592038
H 7.401589 1.570937 0.167314
H -7.138216 0.912739 -0.248766
H -6.240363 2.294102 -0.914349
H -7.598171 2.230298 1.889204
H -8.214359 3.096010 0.455000
H -6.691918 3.620697 1.225168


