%chk=000228108.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000228108

0 1
O 1.411252 -1.219141 -0.532545
O -1.018307 0.553166 1.163301
O 2.142378 0.928736 -0.102037
O -1.616829 0.304282 -1.059733
O 3.517223 1.425856 2.364042
O -2.573740 -2.870306 0.228677
N -3.564301 -1.534305 -1.325611
C 0.933823 -0.895413 0.788542
C -0.611741 -0.777045 0.789708
C 1.674838 0.405367 1.162337
C -1.263207 -1.005498 -0.588703
C 2.170308 -0.115477 -1.107287
C -1.633337 1.254276 0.049854
C 2.892058 0.174522 2.069858
C 3.590243 -0.603300 -1.323317
C 1.460237 0.405248 -2.337281
C -0.784548 2.437877 -0.350599
C -3.066307 1.560906 0.437454
C -2.516399 -1.890447 -0.495238
H 1.235697 -1.775312 1.400595
H -1.044355 -1.430188 1.586936
H 1.009983 1.210517 1.560842
H -0.554421 -1.414616 -1.354751
H 3.635097 -0.498250 1.601552
H 2.605330 -0.210978 3.066517
H 4.207094 0.161680 -1.809383
H 4.073561 -0.862110 -0.371922
H 3.606340 -1.505328 -1.949056
H 1.908617 1.342249 -2.689348
H 1.491530 -0.319698 -3.158675
H 0.395970 0.613645 -2.123452
H -1.124970 2.877219 -1.295459
H -0.796991 3.221260 0.416912
H 0.272937 2.141036 -0.489365
H -3.596458 2.088890 -0.362796
H -3.624671 0.643365 0.666401
H -3.103390 2.185342 1.340826
H 3.710941 1.900383 1.519855
H -4.423415 -2.060781 -1.315935
H -3.545370 -0.681030 -1.865115


%chk=000228108-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000228108

0 1
O 1.485988 -0.839237 -0.865596
O -0.602714 1.209231 0.039671
O 2.723433 0.775704 0.358461
O -2.301206 0.181154 -1.222863
O 3.783892 0.015748 2.850414
O -1.772132 -2.930235 0.674821
N -3.656056 -1.976050 -0.339840
C 0.862979 -0.760506 0.466712
C -0.570882 -0.212985 0.426379
C 1.845499 0.072796 1.328607
C -1.472590 -0.901193 -0.642463
C 2.564295 0.180305 -0.996731
C -1.946749 1.461313 -0.517917
C 2.727565 -0.792490 2.245593
C 3.847727 -0.550039 -1.408525
C 2.141170 1.292377 -1.959648
C -1.840387 2.570418 -1.556676
C -2.969346 1.732330 0.598491
C -2.318048 -2.031454 -0.035987
H 0.781444 -1.802119 0.834604
H -1.005358 -0.342461 1.440730
H 1.341117 0.864237 1.909432
H -0.839906 -1.313717 -1.449498
H 3.150608 -1.640104 1.662847
H 2.137247 -1.196937 3.086383
H 4.684645 0.165449 -1.484799
H 4.101360 -1.323924 -0.665111
H 3.706419 -1.036575 -2.389043
H 2.934278 2.057760 -2.020449
H 1.969818 0.876120 -2.967829
H 1.215828 1.759006 -1.588715
H -2.821134 2.739710 -2.032243
H -1.510274 3.508847 -1.079347
H -1.113437 2.283557 -2.332698
H -3.975322 1.867605 0.165023
H -3.010572 0.893776 1.314817
H -2.693962 2.650308 1.145648
H 4.179340 0.556977 2.116014
H -4.283531 -2.703774 -0.000384
H -3.998346 -1.194326 -0.901684


