%chk=000191722.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000191722

0 1
O -0.311825 0.852563 1.422338
O -3.619635 1.596786 -1.811818
O -4.777602 1.564711 0.103113
O 2.480546 -1.832500 1.311340
O 4.814482 -0.627381 -1.345246
O 1.358398 -1.568939 -0.616539
O 3.393573 0.845365 -2.261022
N -1.374449 0.841694 -0.593993
N 0.872849 2.961308 -0.840252
C -2.934621 -1.118917 -0.418075
C -1.885089 -2.117508 0.122540
C -2.635698 0.336898 -0.019259
C 1.012353 1.510373 -0.527147
C 2.239423 1.324850 0.392162
C -0.259191 1.050202 0.221088
C 3.067586 0.072558 0.065093
C -2.239219 -3.530625 -0.358747
C -1.795804 -2.070284 1.650552
C -3.793022 1.218193 -0.497638
C 2.197572 -1.167427 0.153440
C 3.706436 0.179030 -1.306431
H -3.939006 -1.399272 -0.039294
H -2.989661 -1.209126 -1.521176
H -0.881833 -1.843235 -0.299925
H -2.582945 0.422555 1.112041
H 1.138486 0.875735 -1.450407
H 2.893371 2.222606 0.346730
H 1.905062 1.283822 1.459409
H -1.335819 0.897135 -1.609315
H 3.895029 -0.020571 0.833938
H -1.484899 -4.256157 -0.034474
H -2.288992 -3.585517 -1.451382
H -3.203542 -3.867520 0.036354
H -2.773384 -2.202187 2.125252
H -1.141229 -2.856984 2.037294
H -1.384209 -1.108571 1.997128
H 1.653920 3.268615 -1.417788
H 0.020050 3.145498 -1.362187
H -4.358873 2.173334 -2.144609
H 1.889846 -2.626929 1.456956
H 5.280265 -0.608780 -2.228342


%chk=000191722-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000191722

0 1
O -0.149507 0.212730 1.461498
O -3.193652 2.405344 -1.017873
O -4.793208 1.512503 0.405780
O 3.638744 -0.728685 2.108268
O 5.479525 0.260315 -1.120759
O 3.088565 -1.688977 0.063082
O 3.641629 1.103598 -2.251037
N -1.374451 0.531686 -0.508940
N 0.665253 1.564486 -1.844967
C -3.349666 -1.034374 -0.463696
C -2.544247 -2.323123 -0.157759
C -2.685640 0.273315 0.075176
C 1.049464 0.810727 -0.627589
C 2.158532 1.451699 0.267779
C -0.213941 0.502373 0.222430
C 3.545525 0.745034 0.213770
C -3.212424 -3.524705 -0.868417
C -2.413737 -2.583426 1.362383
C -3.664318 1.431174 -0.123511
C 3.412507 -0.687252 0.736078
C 4.169546 0.733957 -1.180028
H -4.358989 -1.111586 -0.014576
H -3.484012 -0.935379 -1.560432
H -1.524010 -2.198553 -0.575395
H -2.533178 0.168002 1.166552
H 1.402484 -0.180450 -0.976091
H 2.298044 2.507211 -0.030274
H 1.822972 1.428670 1.320665
H -1.252251 0.845578 -1.485136
H 4.244438 1.273070 0.887080
H -2.634495 -4.451879 -0.699788
H -3.284075 -3.362805 -1.960610
H -4.236578 -3.690809 -0.481495
H -3.412112 -2.631612 1.839913
H -1.906305 -3.548830 1.545048
H -1.819315 -1.799416 1.864481
H 1.405658 1.510171 -2.555395
H 0.428172 2.545418 -1.643235
H -3.892097 3.107811 -1.120883
H 3.439379 -1.640532 2.455267
H 5.870470 0.222922 -2.035663


