%chk=000258585.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000258585

0 1
O -1.872723 -2.228929 -0.715233
O 1.666458 0.139225 -2.451505
O -5.995092 -0.265561 -1.172794
O -2.152791 0.241570 3.757257
N -2.785109 0.007496 0.795871
N -0.116636 -1.072044 -1.585873
N 0.050639 1.312130 -1.299427
C -1.741538 0.132257 -0.182804
C -1.311021 -1.155106 -0.789888
C -1.076253 1.289621 -0.463239
C -4.057543 -0.553014 0.262134
C -2.993074 1.197632 1.675511
C 0.628830 0.114447 -1.812633
C 0.476922 -2.347438 -2.106905
C 0.816104 2.585157 -1.454658
C 1.426194 -2.938152 -1.094588
C 1.510863 2.964709 -0.170507
C -4.727508 0.301844 -0.827260
C -1.892330 1.225180 2.753016
C 0.945670 -3.818007 -0.114521
C 2.786951 -2.602496 -1.131550
C 2.597786 2.202077 0.281861
C 1.077245 4.074311 0.567319
C 1.830195 -4.376346 0.811974
C 3.666896 -3.164796 -0.203195
C 3.244055 2.548441 1.470732
C 1.731104 4.418706 1.754385
C 3.190737 -4.054101 0.766111
C 2.811839 3.656286 2.208170
H -1.381336 2.259178 -0.049568
H -3.841752 -1.581596 -0.124608
H -4.760645 -0.704107 1.112530
H -3.035425 2.161870 1.129029
H -3.978347 1.089410 2.190518
H 0.996182 -2.130586 -3.071087
H -0.361460 -3.051076 -2.332973
H 0.118367 3.378543 -1.804820
H 1.570147 2.445399 -2.275047
H -5.001949 1.310476 -0.466496
H -4.100410 0.390978 -1.731423
H -0.883796 1.054569 2.334011
H -1.908111 2.174145 3.321586
H -0.119682 -4.054696 -0.072294
H 3.151200 -1.894477 -1.878923
H 2.935528 1.339287 -0.296547
H 0.240634 4.676008 0.218942
H 1.457975 -5.061667 1.571651
H 4.724406 -2.908991 -0.234714
H 4.086525 1.953951 1.823375
H 1.397728 5.283703 2.326086
H -5.876749 -1.148582 -1.580033
H -2.182184 -0.653057 3.343968
H 3.878248 -4.493070 1.486613
H 3.317738 3.924690 3.134562


%chk=000258585-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000258585

0 1
O -1.818586 -2.256642 -0.529339
O 1.767608 0.012171 -2.525435
O -6.097099 -0.414722 -1.002265
O -1.917577 -0.027949 3.524386
N -2.757417 0.162649 0.762399
N -0.067889 -1.091605 -1.545787
N 0.291810 1.218793 -1.153678
C -1.649104 0.144010 -0.123166
C -1.226472 -1.146294 -0.715913
C -0.864147 1.257327 -0.373131
C -4.020280 -0.519684 0.366834
C -2.901047 1.307513 1.695660
C 0.732823 0.047618 -1.793182
C 0.404706 -2.380905 -2.152986
C 1.084589 2.465923 -1.347261
C 1.396106 -3.128472 -1.266010
C 1.519257 3.103250 -0.033971
C -4.825839 0.258070 -0.702090
C -1.831453 1.245537 2.808795
C 0.937195 -4.080739 -0.319658
C 2.789247 -2.889628 -1.390504
C 2.184464 2.335633 0.956453
C 1.288229 4.480347 0.201382
C 1.857832 -4.780111 0.492665
C 3.708728 -3.590261 -0.577986
C 2.610178 2.937193 2.159821
C 1.720128 5.086588 1.404189
C 3.245682 -4.537476 0.365205
C 2.380238 4.315548 2.387226
H -1.087681 2.235776 0.053427
H -3.766876 -1.526665 -0.006305
H -4.644942 -0.641129 1.269577
H -2.884663 2.299083 1.188465
H -3.892329 1.205472 2.170173
H 0.867690 -2.112950 -3.115839
H -0.500802 -2.984882 -2.320442
H 0.486153 3.181424 -1.942394
H 1.954773 2.163985 -1.956714
H -5.125177 1.253790 -0.332816
H -4.213047 0.390693 -1.619615
H -0.810585 1.397527 2.400434
H -2.026466 2.031390 3.557859
H -0.139668 -4.256932 -0.219516
H 3.139179 -2.146726 -2.115897
H 2.369982 1.268849 0.782436
H 0.774353 5.082414 -0.558877
H 1.494623 -5.514241 1.220773
H 4.783240 -3.401568 -0.682757
H 3.121949 2.335031 2.918480
H 1.538728 6.153713 1.573735
H -5.906903 -1.310749 -1.380343
H -1.965292 -0.740125 2.830973
H 3.959380 -5.083048 0.993192
H 2.712171 4.781586 3.321437


