%chk=000217766.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000217766

0 1
O -4.875312 0.199851 0.336326
N 3.039224 3.305853 1.168215
C 0.778933 0.622577 -0.126824
C 1.465891 1.376954 1.045927
C 1.071039 1.518378 -1.370039
C 2.697438 2.062639 0.414871
C 2.282230 2.404952 -1.037175
C -0.731489 0.485224 0.005600
C 1.419447 -0.764376 -0.199988
C -1.468950 1.215729 0.953425
C -1.416837 -0.365057 -0.876087
C 0.981955 -1.763933 0.688562
C 2.463656 -1.059500 -1.085857
C -2.851525 1.095454 1.037517
C -2.805836 -0.506084 -0.818010
C 1.566845 -3.030522 0.677481
C 3.049230 -2.330438 -1.096497
C -3.509941 0.227237 0.144377
C 2.603189 -3.319560 -0.217780
C -5.661258 -0.655661 -0.526661
H 1.738311 0.705306 1.872719
H 0.787025 2.144084 1.472778
H 0.190096 2.151484 -1.587110
H 1.234535 0.915375 -2.276568
H 3.551177 1.337973 0.393907
H 3.114224 2.243003 -1.738582
H 2.007191 3.474198 -1.118533
H 3.846663 3.765643 0.759893
H 3.269251 3.092330 2.133503
H -0.950005 1.897540 1.634524
H -0.857654 -0.934497 -1.621014
H 0.174270 -1.548873 1.388891
H 2.832818 -0.300654 -1.774346
H -3.430294 1.654274 1.768674
H -3.310897 -1.171854 -1.508425
H 1.215891 -3.795888 1.367462
H 3.857124 -2.545752 -1.793363
H 3.057681 -4.307258 -0.226908
H -5.565593 -0.336217 -1.568218
H -6.678110 -0.478070 -0.152953
H -5.371530 -1.701562 -0.391813


%chk=000217766-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000217766

0 1
O -5.007684 0.040823 0.345977
N 3.271863 3.198914 1.127613
C 0.738692 0.701615 -0.111078
C 1.399238 1.544068 1.026930
C 1.061390 1.613731 -1.347985
C 2.759115 1.990590 0.439363
C 2.447147 2.273495 -1.065168
C -0.783450 0.507412 0.036236
C 1.426785 -0.687738 -0.172924
C -1.540622 1.058326 1.103295
C -1.484469 -0.235486 -0.947344
C 1.177585 -1.618913 0.872372
C 2.307603 -1.079867 -1.211804
C -2.936713 0.884514 1.180506
C -2.882945 -0.417552 -0.892935
C 1.790073 -2.888914 0.884783
C 2.920913 -2.355436 -1.208324
C -3.615541 0.150394 0.179479
C 2.668563 -3.265777 -0.159370
C -5.749572 -0.709302 -0.668454
H 1.496593 0.986761 1.976829
H 0.808489 2.461394 1.213335
H 0.279887 2.392858 -1.397594
H 1.020670 1.065538 -2.306087
H 3.467861 1.131838 0.501154
H 3.242071 1.873498 -1.720690
H 2.396902 3.366785 -1.219393
H 4.111188 3.589694 0.682401
H 3.428661 3.054304 2.132684
H -1.042860 1.629942 1.892800
H -0.923643 -0.693421 -1.771060
H 0.479898 -1.346558 1.673607
H 2.524017 -0.393658 -2.037010
H -3.518331 1.308248 2.005186
H -3.381290 -0.998547 -1.674950
H 1.577544 -3.588126 1.701848
H 3.596215 -2.634560 -2.025681
H 3.143188 -4.253517 -0.155479
H -5.643622 -0.248262 -1.670191
H -6.801216 -0.662697 -0.349098
H -5.420091 -1.766107 -0.711875


