%chk=000244989.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000244989

0 1
O -1.688140 -0.587891 1.630299
O -2.761711 1.664435 -0.608436
O 3.314772 -1.797410 0.603058
O 1.059655 2.871724 -0.904979
O -4.145984 1.816195 1.225802
N -0.910581 -2.471881 -1.546743
N 0.413762 -1.440531 0.782657
N 3.704255 2.862510 -0.486232
N -4.982174 1.475223 -0.923648
C -1.661730 -2.052968 -0.320108
C -0.730891 -3.267112 -0.288122
C -0.985784 -0.907107 0.446816
C 0.541845 -2.902293 0.483604
C -0.745539 0.451535 -0.298635
C 1.342316 -0.510357 0.317172
C 0.750805 0.634547 -0.156927
C -1.697450 -3.089070 -2.633820
C -1.560237 1.627564 0.233825
C 2.849113 -0.699306 0.372908
C 1.501945 1.817564 -0.489778
C -1.818758 -1.609939 2.642497
C 3.621842 0.512705 0.103108
C 3.025416 1.687438 -0.279183
C 5.102050 0.389914 0.265928
C -3.983019 1.677463 0.033897
H -2.748618 -2.091475 -0.250898
H -1.073369 -4.296978 -0.201963
H 0.596683 -3.453090 1.447092
H 1.471690 -3.127121 -0.085828
H -0.996538 0.315669 -1.387290
H -2.530524 -3.738805 -2.329673
H -1.006009 -3.680360 -3.261193
H -2.105289 -2.278779 -3.265380
H -1.068301 2.599745 0.026872
H -1.837909 1.541438 1.303496
H -2.292691 -2.505708 2.238097
H -2.470100 -1.112067 3.374014
H -0.837956 -1.829760 3.075648
H 5.638114 0.635963 -0.659439
H 5.388000 -0.644336 0.528442
H 5.475361 1.033811 1.073216
H 4.707106 2.893616 -0.476221
H 3.212107 3.663723 -0.862781
H -4.744331 1.550948 -1.902630
H -5.922508 1.756914 -0.681139


%chk=000244989-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000244989

0 1
O -1.627448 -0.543739 1.553610
O -2.962667 1.309549 -0.614739
O 3.278427 -1.792258 0.935939
O 1.189561 2.957647 -0.982807
O -3.995462 2.498685 1.150035
N -0.936287 -2.488409 -1.661958
N 0.422462 -1.440707 0.522015
N 3.791653 2.832396 -0.459766
N -5.226593 1.450726 -0.550266
C -1.668567 -2.027980 -0.423207
C -0.770529 -3.260984 -0.372455
C -0.961672 -0.880689 0.295524
C 0.523787 -2.912327 0.369079
C -0.701030 0.468222 -0.458329
C 1.364924 -0.467163 0.292332
C 0.785453 0.706995 -0.184523
C -1.778748 -3.131182 -2.703750
C -1.617653 1.625940 -0.057106
C 2.840480 -0.654333 0.524613
C 1.598448 1.844069 -0.477738
C -1.676331 -1.601140 2.573808
C 3.683148 0.500679 0.265346
C 3.096054 1.685930 -0.190889
C 5.174440 0.389193 0.499803
C -4.061832 1.819232 0.097371
H -2.760911 -2.086741 -0.376618
H -1.188416 -4.271265 -0.295207
H 0.570316 -3.422975 1.349120
H 1.434377 -3.168868 -0.194802
H -0.832049 0.282751 -1.543274
H -2.624035 -3.736723 -2.301933
H -1.136900 -3.788098 -3.315951
H -2.193312 -2.341735 -3.354145
H -1.259023 2.560456 -0.521202
H -1.698001 1.746197 1.033263
H -2.217738 -2.499656 2.217324
H -2.222816 -1.155380 3.418622
H -0.657239 -1.882587 2.899978
H 5.757127 0.571480 -0.425792
H 5.411146 -0.627672 0.852297
H 5.528688 1.105017 1.268784
H 4.798392 2.902172 -0.338596
H 3.240170 3.619966 -0.818719
H -5.189946 0.928403 -1.421554
H -6.113154 1.763206 -0.166138


