%chk=000298396.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000298396

0 1
O -1.381410 0.487808 0.263627
O -0.083606 0.051087 2.066185
O 0.259398 -0.026487 -1.481336
N -4.773730 -0.466540 0.301539
C -3.398130 -0.857774 0.779389
C -2.615883 0.456655 1.059099
C -2.769647 -1.788274 -0.275595
C -4.870838 1.029443 0.320624
C -3.459601 1.613467 0.514333
C -4.992237 -1.077564 -1.052608
C -3.901560 -2.146284 -1.251307
C -0.189418 0.208053 0.875616
C 0.908710 0.195189 -0.222505
C 1.865000 -0.972245 -0.047012
C 1.648698 1.524795 -0.226996
C 2.396625 -1.275597 1.214134
C 2.036033 2.079692 -1.454295
C 2.238772 -1.728415 -1.166885
C 1.975520 2.175033 0.970476
C 3.299736 -2.332787 1.350470
C 2.733092 3.290242 -1.483478
C 3.141584 -2.785309 -1.023230
C 2.673808 3.385021 0.935723
C 3.674196 -3.087575 0.233895
C 3.050919 3.945178 -0.289258
H -3.546131 -1.406425 1.742596
H -2.340488 0.564759 2.127905
H -2.336743 -2.687141 0.192512
H -1.935364 -1.291950 -0.811871
H -5.523814 1.285621 1.184460
H -5.363278 1.434248 -0.582690
H -3.035208 1.972462 -0.443422
H -3.460602 2.479901 1.194739
H -4.973922 -0.335773 -1.874352
H -6.006362 -1.528624 -1.037477
H -3.543552 -2.171361 -2.293018
H -4.299919 -3.152875 -1.031517
H -0.473792 0.627735 -1.615610
H 2.097432 -0.698243 2.092800
H 1.797638 1.555895 -2.382396
H 1.816556 -1.490338 -2.146188
H 1.691292 1.741168 1.932018
H 3.710788 -2.568604 2.330804
H 3.032788 3.720427 -2.437846
H 3.429694 -3.372766 -1.893207
H 2.926259 3.890417 1.866942
H 4.378763 -3.910090 0.343955
H 3.594835 4.888144 -0.312742


%chk=000298396-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000298396

0 1
O -1.373757 0.731048 -0.239870
O -0.245959 -0.042898 1.643389
O 0.590469 0.474270 -1.878573
N -4.746688 -0.527262 0.428040
C -3.282951 -0.664105 0.785606
C -2.653877 0.760307 0.534180
C -2.743468 -1.830165 -0.090171
C -5.031167 0.918517 0.215003
C -3.696307 1.533931 -0.291820
C -5.041016 -1.440637 -0.715928
C -4.028802 -2.587105 -0.514510
C -0.234698 0.310156 0.445875
C 1.015186 0.409833 -0.477156
C 1.874385 -0.865272 -0.323090
C 1.812873 1.692541 -0.107660
C 2.615205 -1.098843 0.861126
C 2.561009 2.319377 -1.135832
C 1.904826 -1.824129 -1.363646
C 1.850059 2.231496 1.202304
C 3.374006 -2.280665 1.003001
C 3.332901 3.467622 -0.858511
C 2.671118 -3.003332 -1.221455
C 2.620856 3.384993 1.475503
C 3.406008 -3.238086 -0.037605
C 3.365389 4.007075 0.448895
H -3.175242 -0.905775 1.857644
H -2.428494 1.248893 1.499209
H -2.027461 -2.463981 0.458066
H -2.226583 -1.436493 -0.984529
H -5.331243 1.390752 1.171215
H -5.862388 1.050249 -0.498618
H -3.551433 1.306088 -1.364429
H -3.629700 2.626128 -0.154415
H -4.871062 -0.955062 -1.709172
H -6.090569 -1.783957 -0.680094
H -3.887880 -3.192529 -1.426470
H -4.372868 -3.252362 0.297877
H -0.243225 1.012389 -1.912349
H 2.602110 -0.364026 1.671243
H 2.521982 1.899245 -2.145236
H 1.336580 -1.628576 -2.276217
H 1.281479 1.759736 2.011107
H 3.941829 -2.452226 1.924326
H 3.908825 3.941300 -1.661694
H 2.692794 -3.736789 -2.035619
H 2.638101 3.794785 2.491737
H 3.998744 -4.153270 0.073112
H 3.963002 4.900215 0.663212


