%chk=000276398.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000276398

0 1
O 1.527921 1.325968 -0.911533
O 2.444589 2.630898 1.907917
O 4.405090 1.882504 0.532386
O 2.334347 -0.573666 -2.835884
O 1.624094 -1.388051 1.409818
N 0.075173 0.234086 0.613630
N -0.692299 -1.946405 0.917838
C 0.987874 1.365509 0.419686
C 2.199639 1.334688 1.396237
C 3.402972 0.861018 0.527656
C 2.885526 0.802884 -0.923853
C 2.841044 -0.618222 -1.502499
C -1.292089 0.199287 0.194727
C 0.356865 -1.114391 0.993188
C -1.751627 -1.144066 0.411415
C -2.138533 1.187376 -0.311973
C -3.458517 0.832257 -0.596038
C -3.078025 -1.485497 0.124212
C -3.926920 -0.499589 -0.377093
C -4.386846 1.870661 -1.140294
C -5.346541 -0.852508 -0.689300
C 1.804885 -2.738773 1.950276
H 0.409359 2.322628 0.454196
H 2.023335 0.714591 2.303618
H 3.835996 -0.092471 0.888923
H 3.428615 1.508995 -1.596257
H 2.213923 -1.296499 -0.892381
H 3.854388 -1.046281 -1.625002
H 2.834562 3.214942 1.198569
H 4.774830 1.988728 1.441757
H -1.778833 2.197541 -0.484882
H -3.419355 -2.505368 0.294683
H 1.438387 -0.153866 -2.831715
H -5.251120 2.019911 -0.476978
H -3.904578 2.848925 -1.264248
H -4.776907 1.578589 -2.126296
H -6.048428 -0.243493 -0.102040
H -5.574614 -0.687020 -1.752007
H -5.576750 -1.904273 -0.472983
H 1.153297 -2.877378 2.819968
H 2.865084 -2.727890 2.220518
H 1.577484 -3.478080 1.173441


%chk=000276398-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000276398

0 1
O 1.690931 0.687646 -1.132541
O 2.060482 2.926643 1.206624
O 4.438166 1.759532 0.990840
O 3.585962 -0.208650 -3.066680
O 1.477490 -1.541912 1.292161
N -0.045916 0.082409 0.415485
N -0.890500 -1.969019 1.044218
C 0.920028 1.110324 0.067923
C 1.964306 1.470387 1.159057
C 3.311241 0.877756 0.637445
C 3.145802 0.882087 -0.893722
C 3.861076 -0.251669 -1.630854
C -1.440564 0.118691 0.136917
C 0.192105 -1.199157 0.937846
C -1.943770 -1.155697 0.543891
C -2.276626 1.110563 -0.403174
C -3.656282 0.821515 -0.539317
C -3.317597 -1.438737 0.410458
C -4.178631 -0.455363 -0.129787
C -4.584962 1.871658 -1.124715
C -5.661595 -0.753514 -0.278355
C 1.613020 -2.928086 1.802572
H 0.355882 2.026726 -0.174757
H 1.678895 1.072636 2.150086
H 3.452246 -0.145438 1.025480
H 3.454519 1.865586 -1.300072
H 3.546200 -1.223266 -1.191394
H 4.954099 -0.137492 -1.533087
H 3.035854 3.141983 1.252330
H 4.875194 1.437924 1.817819
H -1.892467 2.085436 -0.722468
H -3.707631 -2.412821 0.722515
H 2.599934 -0.189834 -3.176946
H -5.393274 2.141445 -0.417887
H -4.037594 2.795655 -1.377454
H -5.078899 1.510276 -2.047558
H -6.282577 -0.041796 0.299630
H -5.991449 -0.678560 -1.332711
H -5.899048 -1.770651 0.076254
H 0.991549 -3.060795 2.703537
H 2.682833 -3.040589 2.030958
H 1.288867 -3.645630 1.030837


