%chk=000206330.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000206330

0 1
O -0.766509 1.781310 1.144794
O -3.302263 1.658283 0.010578
O -4.189209 -0.942446 -0.950101
O 3.562970 2.558346 -0.651981
N 2.531093 0.245385 0.382846
N 3.635218 0.199273 -0.448396
N 5.052402 1.385779 -1.949479
C -0.169404 -3.099190 0.569580
C 1.139600 -2.985819 -0.229686
C -0.992277 -1.841840 0.461855
C -0.501181 -0.627928 0.980181
C 2.270762 -2.278218 0.531425
C 0.784431 -0.575374 1.751494
C 1.954157 -0.833973 0.822776
C -1.236680 0.554429 0.762200
C -2.231493 -1.882183 -0.176237
C -2.497670 0.535657 0.122197
C -2.991708 -0.705296 -0.333740
C -2.682037 2.781481 -0.676450
C -5.087777 0.176025 -1.177770
C 4.022916 1.486397 -0.973082
H 0.040896 -3.321812 1.636101
H -0.746103 -3.973043 0.201393
H 1.480741 -4.002423 -0.509724
H 0.943183 -2.456663 -1.184828
H 3.215448 -2.381298 -0.038228
H 2.465179 -2.802094 1.492737
H 0.898498 0.412146 2.261837
H 0.773588 -1.322098 2.573642
H -2.637848 -2.811637 -0.569193
H 0.216320 1.741452 1.368425
H 3.761966 -0.621657 -1.057918
H -3.501789 3.505491 -0.708547
H -2.358071 2.485366 -1.675327
H -1.841251 3.160640 -0.080967
H -5.310918 0.681296 -0.230173
H -5.967990 -0.327157 -1.592016
H -4.637796 0.872645 -1.890294
H 5.489145 2.267369 -2.202568
H 5.702661 0.615482 -1.932154


%chk=000206330-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000206330

0 1
O -0.382006 1.715507 1.054072
O -2.847222 1.832496 -0.433048
O -4.018085 -0.622909 -1.297318
O 2.872861 2.720890 -0.633325
N 2.282915 0.291739 0.576686
N 3.238570 0.397654 -0.422958
N 4.590514 1.688376 -1.834224
C -0.237657 -3.207920 0.609746
C 1.132830 -3.089593 -0.136093
C -1.052943 -1.921691 0.515460
C -0.531825 -0.734251 1.089184
C 2.272751 -2.284433 0.583880
C 0.704289 -0.786317 1.973949
C 1.877259 -0.880881 1.017176
C -1.051044 0.528943 0.704051
C -2.240773 -1.845965 -0.242022
C -2.244344 0.614987 -0.068195
C -2.864198 -0.599348 -0.491002
C -2.002295 2.808410 -1.162604
C -5.199198 0.111537 -0.793405
C 3.522498 1.686102 -0.935695
H -0.054848 -3.507563 1.662362
H -0.806139 -4.033920 0.144003
H 1.529259 -4.110246 -0.307288
H 0.946106 -2.643044 -1.131338
H 3.163291 -2.291597 -0.076612
H 2.562432 -2.842891 1.497435
H 0.782615 0.119351 2.597017
H 0.672358 -1.661640 2.644857
H -2.698332 -2.739546 -0.678424
H 0.612811 1.585724 0.978506
H 3.669976 -0.435773 -0.839143
H -2.678055 3.645906 -1.395144
H -1.622444 2.357555 -2.099208
H -1.164050 3.142208 -0.531486
H -5.548870 -0.337564 0.156782
H -5.967577 -0.015543 -1.571653
H -4.963318 1.177726 -0.645313
H 4.810736 2.577840 -2.275155
H 5.222354 0.901784 -1.969313


