%chk=000269063.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000269063

0 1
O 4.786048 3.157891 0.816993
O 5.115051 1.594536 -1.468318
O -1.433521 1.385696 0.382284
N 3.152102 0.309863 0.650945
N -1.568123 -0.889367 -0.034974
C 2.169639 -0.650745 0.270817
C 2.812379 1.751916 0.442408
C 4.571591 0.000364 0.326715
C 0.803822 -0.292905 0.240651
C -0.181383 -1.251927 -0.002429
C 2.520587 -1.998606 0.039753
C 0.170086 -2.610628 -0.229448
C 3.587536 2.637736 1.427052
C 4.962298 0.205873 -1.145145
C 1.526937 -2.946681 -0.198367
C -0.852025 -3.669113 -0.495005
C -2.105711 0.400528 0.151640
C -3.603965 0.422731 0.043850
C -4.229144 0.181629 -1.185871
C -4.361248 0.731033 1.180636
C -5.622759 0.241031 -1.273646
C -5.755095 0.784216 1.086387
C -6.384725 0.538900 -0.138399
H 1.713559 1.896785 0.600487
H 3.029390 2.069710 -0.607656
H 5.211113 0.652522 0.971547
H 4.792032 -1.045863 0.641140
H 0.512283 0.750222 0.424869
H 3.560373 -2.313371 0.059659
H 3.975013 2.078059 2.301208
H 2.973265 3.483635 1.781008
H 4.183698 -0.140714 -1.850981
H 5.919219 -0.297231 -1.377951
H 1.822249 -3.983640 -0.368329
H -2.225851 -1.657303 -0.198296
H -1.550791 -3.778797 0.345872
H -1.428032 -3.458395 -1.406373
H -0.390759 -4.656066 -0.642644
H 4.554555 3.820352 0.130609
H 5.481746 2.088281 -0.684712
H -3.633335 -0.038649 -2.071700
H -3.864261 0.936225 2.129946
H -6.115029 0.059199 -2.228105
H -6.349585 1.022708 1.967565
H -7.471230 0.584160 -0.209791


%chk=000269063-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000269063

0 1
O 4.773621 3.186585 0.569832
O 4.927935 1.502095 -1.640067
O -1.511319 1.348265 0.707945
N 3.215286 0.310077 0.601949
N -1.532740 -0.872763 -0.076688
C 2.231870 -0.627569 0.223703
C 2.762322 1.678195 0.933707
C 4.637624 0.017558 0.346711
C 0.849587 -0.272913 0.237540
C -0.147895 -1.220081 -0.087682
C 2.569503 -1.963189 -0.158088
C 0.184122 -2.561412 -0.452524
C 3.812375 2.612994 1.549201
C 5.081653 0.142528 -1.132138
C 1.557492 -2.887905 -0.478291
C -0.876292 -3.589119 -0.810850
C -2.140392 0.333102 0.266498
C -3.641582 0.359299 0.100792
C -4.346989 -0.468409 -0.813481
C -4.365006 1.297999 0.880435
C -5.751688 -0.373126 -0.925079
C -5.767709 1.388873 0.772481
C -6.466961 0.549743 -0.127470
H 1.951898 1.594875 1.687359
H 2.314793 2.177116 0.043922
H 5.255114 0.706533 0.947574
H 4.874933 -0.998581 0.716551
H 0.511906 0.729410 0.493348
H 3.609532 -2.294057 -0.206751
H 4.430451 2.097308 2.301757
H 3.280527 3.441624 2.055323
H 4.470117 -0.505624 -1.783451
H 6.143284 -0.188869 -1.202321
H 1.848914 -3.906133 -0.763952
H -2.167634 -1.636542 -0.314519
H -1.590134 -3.773442 0.018634
H -1.466424 -3.298999 -1.705374
H -0.405938 -4.558938 -1.044037
H 4.359783 3.972579 0.134223
H 5.074419 2.137403 -0.876968
H -3.811226 -1.157588 -1.478421
H -3.801619 1.949389 1.556324
H -6.284907 -1.007530 -1.641582
H -6.315961 2.112945 1.384998
H -7.556642 0.622093 -0.215172


