%chk=000270705.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000270705

0 1
O -6.394957 1.078820 -2.934075
O -6.491091 -2.527130 0.450233
O 3.536825 -2.020532 -1.648649
N -4.634662 0.089357 0.178891
N 1.821625 -0.330653 -0.262675
N 3.004321 1.737512 1.336773
N 0.877660 2.395585 2.031815
N 5.170827 1.001020 0.705132
N 5.430838 -0.923314 -0.832594
N 7.292653 0.266674 0.003410
C -3.212798 0.093020 0.224871
C -5.291684 -0.129380 -1.141047
C -5.376645 -0.528740 1.308205
C -0.408524 0.358077 0.358284
C -2.470758 0.490326 -0.914053
C -2.519670 -0.179995 1.427557
C -5.913756 1.205480 -1.590983
C -5.412801 -2.067796 1.277457
C -1.087358 0.611779 -0.844949
C -1.134605 -0.049874 1.486376
C 1.059189 0.498778 0.427853
C 1.662035 1.562409 1.257845
C 3.187704 -0.179078 -0.180397
C 3.805606 0.857456 0.627974
C 4.087634 -1.049605 -0.896522
C 5.925713 0.118347 -0.029220
C 4.443857 -2.908329 -2.377814
H -6.068112 -0.928998 -1.076878
H -4.577286 -0.488621 -1.917015
H -6.415838 -0.126252 1.282993
H -4.935550 -0.172070 2.267774
H -2.975896 0.704607 -1.855467
H -3.056918 -0.495606 2.318259
H -5.160072 2.012765 -1.670071
H -6.731542 1.532260 -0.927959
H -5.510623 -2.498066 2.288233
H -4.520606 -2.501366 0.781311
H -0.520855 0.900584 -1.732637
H -0.609034 -0.275953 2.415773
H -7.131868 0.439283 -2.980743
H -7.349660 -2.394468 0.897673
H 1.315277 3.179330 2.499998
H -0.107940 2.476526 1.834605
H 7.888247 -0.397073 -0.463032
H 7.709547 0.957860 0.608815
H 5.045102 -2.327665 -3.084044
H 3.729434 -3.567722 -2.883841
H 5.080718 -3.450071 -1.672045


%chk=000270705-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000270705

0 1
O -6.090658 0.374941 -3.422549
O -6.549666 -2.436023 1.166054
O 3.500868 -1.345848 -2.260152
N -4.648454 -0.222139 0.050862
N 1.824721 -0.166438 -0.322918
N 3.082375 1.291946 1.787407
N 1.021691 2.094676 2.479292
N 5.211210 0.573445 1.049886
N 5.406480 -0.736743 -1.026670
N 7.281637 -0.137106 0.231694
C -3.260726 -0.065121 0.203772
C -5.244174 -0.539415 -1.259402
C -5.553618 -0.132976 1.205358
C -0.403090 0.309713 0.505672
C -2.382152 -0.043254 -0.929048
C -2.656678 0.074492 1.493558
C -5.578389 0.725131 -2.090934
C -5.768032 -1.469216 1.956234
C -1.000057 0.127226 -0.773564
C -1.269166 0.262698 1.633450
C 1.068462 0.456771 0.607042
C 1.736063 1.269051 1.635184
C 3.191932 -0.094595 -0.219170
C 3.843808 0.584785 0.884675
C 4.071542 -0.730744 -1.172372
C 5.913434 -0.090107 0.097313
C 4.423454 -2.004167 -3.211046
H -6.161165 -1.133239 -1.086408
H -4.568601 -1.187426 -1.845301
H -6.536911 0.241394 0.856306
H -5.171069 0.624546 1.916186
H -2.780145 -0.152023 -1.941862
H -3.257840 0.000665 2.404324
H -4.667135 1.311972 -2.287149
H -6.294480 1.370126 -1.536704
H -6.253927 -1.272905 2.937151
H -4.801466 -1.967314 2.132045
H -0.344313 0.118431 -1.650146
H -0.853111 0.297730 2.647254
H -6.943334 -0.120227 -3.326554
H -7.499065 -2.151943 1.158724
H 1.558878 2.680403 3.117645
H 0.024880 2.247449 2.350823
H 7.835278 -0.622261 -0.468134
H 7.709844 0.322203 1.030962
H 5.126655 -1.270002 -3.639362
H 3.760150 -2.420321 -3.982699
H 4.997761 -2.798745 -2.705331


