%chk=000225512.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000225512

0 1
O -1.582006 -1.705112 -1.898149
O 3.734184 0.126365 -1.486098
O 2.322839 -1.449653 -0.690871
N 0.121016 -0.060246 2.378613
N -2.114673 1.609082 2.533559
C 1.489600 -0.594535 2.224034
C 2.501094 0.461182 1.739882
C -0.799300 -0.071675 1.336157
C 2.344489 0.818886 0.260132
C -1.996233 0.756193 1.446429
C -2.996386 0.670664 0.432542
C -0.645137 -0.889782 0.218297
C -1.657770 -0.935456 -0.762718
C -2.823843 -0.179802 -0.680121
C 2.745751 -0.314415 -0.642157
C -4.166651 1.492042 0.595745
C -4.275587 2.318600 1.680343
C -3.207528 2.354581 2.640443
C 4.237533 -0.788363 -2.512218
C -0.461187 -2.616428 -2.034956
C 3.302411 -0.771956 -3.702882
H 1.484192 -1.467140 1.520477
H 1.807941 -0.992687 3.215131
H 3.529247 0.092829 1.933679
H 2.400420 1.387945 2.342158
H -0.001286 0.643939 3.110726
H 1.283931 1.085477 0.033176
H 2.938439 1.729406 0.021227
H 0.252235 -1.502876 0.108368
H -3.578728 -0.248250 -1.454929
H -4.949788 1.434184 -0.159221
H -5.147025 2.950174 1.835483
H -3.278178 3.020022 3.506909
H 4.348534 -1.793595 -2.068337
H 5.225029 -0.340244 -2.726718
H -0.554177 -3.421394 -1.299910
H -0.597599 -2.990420 -3.055761
H 0.494652 -2.088019 -1.923812
H 3.725645 -1.320071 -4.553244
H 2.334223 -1.232544 -3.461172
H 3.095375 0.253590 -4.037834


%chk=000225512-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000225512

0 1
O -1.689409 -1.947401 -1.879596
O 3.846653 0.223613 -1.548219
O 2.580420 -1.443645 -0.525574
N 0.174034 0.241705 2.158535
N -2.093492 1.673346 2.392898
C 1.426950 -0.494036 2.327195
C 2.687101 0.329099 1.944341
C -0.797870 0.015407 1.198618
C 2.713799 0.824215 0.477032
C -2.021104 0.792728 1.330741
C -3.088356 0.615649 0.370307
C -0.678521 -0.897033 0.129041
C -1.754459 -1.054313 -0.796664
C -2.945620 -0.317583 -0.694627
C 3.011309 -0.261497 -0.540870
C -4.262563 1.420055 0.570016
C -4.327071 2.308936 1.645874
C -3.215189 2.406503 2.541328
C 4.165755 -0.708111 -2.676653
C -0.507890 -2.808660 -1.995629
C 3.121445 -0.576811 -3.788656
H 1.397043 -1.418593 1.728672
H 1.525627 -0.799672 3.388467
H 3.586071 -0.281075 2.160821
H 2.738564 1.220673 2.599108
H -0.114119 0.936910 2.858844
H 1.719704 1.251979 0.234221
H 3.451764 1.632629 0.343586
H 0.245429 -1.464644 -0.002204
H -3.741642 -0.470716 -1.428727
H -5.100586 1.324729 -0.130241
H -5.212592 2.930045 1.815171
H -3.243425 3.095143 3.393590
H 4.210650 -1.737616 -2.280196
H 5.164619 -0.381988 -3.007596
H -0.401594 -3.466632 -1.111898
H -0.689854 -3.417089 -2.894180
H 0.421052 -2.220036 -2.119002
H 3.411742 -1.205714 -4.650672
H 2.128032 -0.908149 -3.440577
H 3.043286 0.468149 -4.134224


