%chk=000229240.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000229240

0 1
O -4.074204 0.062440 1.630386
O -1.449693 -0.007657 1.405869
O 0.097036 -0.697406 -0.688852
O 0.135334 1.503879 -1.223882
O 7.047132 0.876343 0.055605
O 6.597405 -0.789640 1.361937
N 6.279250 0.084315 0.574250
C -3.575271 -0.080998 0.297599
C -4.284663 -1.331130 -0.249999
C -3.923415 1.182807 -0.513519
C -3.950262 -2.593188 0.554268
C -3.002730 2.375347 -0.232469
C -2.037502 -0.258186 0.382539
C -4.732150 -3.808861 0.039938
C -3.540103 3.657533 -0.884730
C -1.336074 -0.721248 -0.885715
C -4.391272 -5.068910 0.831588
C -2.602224 4.838230 -0.645863
C 0.726338 0.527706 -0.828254
C 2.161784 0.388771 -0.459685
C 3.083996 1.283105 -1.025532
C 2.573382 -0.597539 0.447372
C 4.434408 1.185139 -0.688704
C 3.923687 -0.699585 0.789978
C 4.838938 0.192009 0.215125
H -4.053279 -1.470759 -1.320793
H -5.381211 -1.149954 -0.194496
H -3.929268 0.958801 -1.596161
H -4.970779 1.457724 -0.257568
H -2.865546 -2.804681 0.527635
H -4.190313 -2.410399 1.624962
H -1.974884 2.177038 -0.608478
H -2.899072 2.530249 0.859403
H -5.820785 -3.611307 0.106806
H -4.519621 -3.973163 -1.034186
H -3.671691 3.501174 -1.973332
H -4.546573 3.892403 -0.486015
H -3.451135 0.592746 2.187046
H -1.609608 -0.099078 -1.761237
H -1.527241 -1.792446 -1.099821
H -4.623505 -4.950858 1.897000
H -3.327869 -5.322327 0.756222
H -4.960782 -5.931753 0.467734
H -2.978490 5.747866 -1.126658
H -2.486955 5.054650 0.422406
H -1.599946 4.643991 -1.047923
H 2.740553 2.055797 -1.720664
H 1.834565 -1.280007 0.883027
H 5.174388 1.871298 -1.117183
H 4.269419 -1.462483 1.497522


%chk=000229240-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000229240

0 1
O -4.008311 0.299467 1.630384
O -1.379124 0.022059 1.375468
O 0.145902 -0.669594 -0.800732
O 0.351437 1.651505 -0.921161
O 7.208303 0.794154 0.544246
O 6.859422 -1.445418 0.801219
N 6.449753 -0.249480 0.543183
C -3.550158 0.002359 0.272016
C -4.241112 -1.316559 -0.187989
C -3.949817 1.192385 -0.657151
C -3.873585 -2.556603 0.654262
C -3.266104 2.533402 -0.313212
C -2.015080 -0.155965 0.303910
C -4.702247 -3.801809 0.264842
C -3.810909 3.702190 -1.165573
C -1.299565 -0.514712 -1.002466
C -4.330756 -5.049244 1.094846
C -3.123458 5.045186 -0.838619
C 0.869852 0.529708 -0.713405
C 2.305247 0.288232 -0.386054
C 3.176590 1.408460 -0.366383
C 2.799391 -1.009221 -0.092574
C 4.539038 1.240041 -0.061981
C 4.160702 -1.191055 0.214242
C 5.008068 -0.061538 0.221914
H -4.025539 -1.497607 -1.261385
H -5.330365 -1.134133 -0.109762
H -3.754860 0.920734 -1.715373
H -5.046781 1.301858 -0.552306
H -2.793564 -2.795970 0.546441
H -4.038766 -2.317820 1.721991
H -2.168795 2.462405 -0.460711
H -3.432510 2.750857 0.759529
H -5.779361 -3.574529 0.398248
H -4.561479 -4.018580 -0.814430
H -3.672369 3.469049 -2.241716
H -4.904588 3.794232 -1.004289
H -3.198612 0.394965 2.207718
H -1.499152 0.268789 -1.757203
H -1.646804 -1.489540 -1.381544
H -4.490877 -4.867544 2.174007
H -3.266476 -5.317774 0.955196
H -4.940491 -5.924329 0.804870
H -3.523679 5.867017 -1.460290
H -3.274647 5.318522 0.222538
H -2.033533 4.983583 -1.016352
H 2.766876 2.398331 -0.589106
H 2.112466 -1.858540 -0.102255
H 5.235856 2.081446 -0.039122
H 4.574068 -2.175575 0.446570


