%chk=000206879.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000206879

0 1
O -4.680601 1.114956 1.280312
O -2.258400 -1.296245 -1.906102
O 5.254165 0.618831 0.446479
O -1.354107 2.153570 -0.691095
N -2.840116 -0.798934 0.247383
N 0.346739 -1.800152 -0.235650
C -4.292814 -0.870442 -0.085581
C -2.559260 -0.076238 1.516292
C -0.470967 -0.705709 -0.467249
C -4.936024 0.523109 -0.010426
C -3.271830 1.288473 1.532584
C -1.924921 -0.899715 -0.800584
C 1.650507 0.092189 -0.158664
C 0.286347 0.475802 -0.425160
C 1.669457 -1.337497 -0.040305
C 2.845579 0.820352 -0.000376
C 2.853773 -2.055948 0.229203
C 3.997081 0.092463 0.262391
C 4.017105 -1.335991 0.380387
C -0.178134 1.839488 -0.641700
C 5.410684 2.055414 0.341687
H -4.770278 -1.559359 0.646730
H -4.426225 -1.312638 -1.101557
H -1.467449 0.055156 1.670091
H -2.937907 -0.712970 2.349814
H -4.559288 1.197325 -0.801704
H -6.038697 0.478302 -0.039428
H -3.261980 1.754238 2.532481
H -2.848666 1.983856 0.777399
H 0.066261 -2.764976 -0.264529
H 2.841871 1.899316 -0.088143
H 2.840882 -3.140716 0.311447
H 4.970960 -1.819693 0.587867
H 0.614439 2.598372 -0.756285
H 4.824973 2.558532 1.116225
H 5.140623 2.394647 -0.662577
H 6.487418 2.175933 0.521344


%chk=000206879-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000206879

0 1
O -5.116586 1.097388 1.140978
O -2.066985 -2.044910 -1.287022
O 5.468114 0.549054 0.241558
O -1.226202 2.306900 -0.298456
N -2.883562 -0.488691 0.240873
N 0.445327 -1.800053 -0.250581
C -4.276266 -0.910341 -0.051048
C -2.761699 0.365627 1.445206
C -0.421277 -0.717012 -0.210064
C -5.191829 0.325657 -0.110110
C -3.730840 1.561273 1.347612
C -1.856941 -1.089035 -0.453921
C 1.762118 0.042642 -0.026952
C 0.364110 0.469759 -0.089616
C 1.774790 -1.385710 -0.135363
C 2.988812 0.747420 0.102529
C 2.972030 -2.136567 -0.114590
C 4.183339 -0.003846 0.118659
C 4.175982 -1.430905 0.010675
C -0.042406 1.863055 -0.180731
C 5.570302 2.005926 0.346631
H -4.624114 -1.590495 0.753020
H -4.276493 -1.466183 -1.002640
H -1.728760 0.721052 1.558729
H -3.029923 -0.248657 2.330660
H -4.904598 0.968080 -0.969352
H -6.246435 0.021012 -0.210940
H -3.747685 2.123873 2.295175
H -3.414535 2.221139 0.518962
H 0.104110 -2.736950 -0.478425
H 3.002120 1.836709 0.190999
H 2.970714 -3.228000 -0.196164
H 5.139020 -1.948938 0.029762
H 0.811414 2.583955 -0.155095
H 5.051302 2.381281 1.250322
H 5.157573 2.503257 -0.552849
H 6.647158 2.214334 0.424569


