%chk=000226097.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000226097

0 1
O -0.268677 -2.382749 2.229828
O -1.140332 -3.436533 -1.087765
O 1.196652 -3.437576 1.026326
O 0.309979 -2.341290 -2.273238
O -2.658082 2.313042 -0.664833
O 2.649412 2.329053 0.704477
O -1.292101 1.904585 1.099165
O 1.287583 1.942386 -1.067598
N 0.335809 -2.604282 1.205932
N -0.291287 -2.588349 -1.253303
C 0.015716 -1.678792 -0.016042
C -1.262629 -0.878967 0.271511
C 1.282491 -0.856321 -0.290473
C -1.516837 0.267713 -0.705503
C 1.522830 0.275107 0.707558
C -1.767623 1.551583 0.042750
C 1.764988 1.573884 -0.017378
C -2.966765 3.633133 -0.135437
C 2.949144 3.660269 0.198371
H -1.203493 -0.482172 1.321890
H -2.140958 -1.565099 0.299042
H 2.170049 -1.529737 -0.332296
H 1.215856 -0.440578 -1.333031
H -2.365545 0.039481 -1.387812
H -0.647919 0.456124 -1.389775
H 0.649377 0.444199 1.391310
H 2.370724 0.042444 1.389328
H -3.888331 3.894695 -0.666845
H -2.142715 4.306505 -0.390499
H -3.116211 3.587047 0.948740
H 3.860923 3.924219 0.745276
H 2.114566 4.321032 0.452113
H 3.112807 3.631144 -0.884291


%chk=000226097-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000226097

0 1
O 0.561488 -2.651280 1.962284
O -1.044008 -3.475198 -1.094667
O 1.833655 -2.891421 0.084202
O -0.341375 -1.821758 -2.499612
O -2.414226 1.876932 -0.989789
O 2.873964 2.334493 0.938266
O -1.618566 1.696809 1.192319
O 1.243763 2.600853 -0.700043
N 0.825825 -2.432642 0.730718
N -0.522112 -2.329673 -1.341040
C -0.127777 -1.464790 -0.076166
C -1.417214 -1.220260 0.726783
C 0.702175 -0.253601 -0.521071
C -2.437701 -0.308133 0.004815
C 1.316762 0.533780 0.659084
C -2.104358 1.172816 0.160002
C 1.779280 1.907865 0.198084
C -2.083177 3.331310 -0.980711
C 3.371678 3.701593 0.635049
H -1.150621 -0.770565 1.698063
H -1.870890 -2.203129 0.938291
H 1.501477 -0.609535 -1.193658
H 0.063005 0.415128 -1.122813
H -3.424491 -0.468703 0.479369
H -2.559336 -0.549364 -1.064575
H 0.562556 0.720207 1.448497
H 2.164657 0.001614 1.121507
H -2.504613 3.714387 -1.919974
H -0.987146 3.444648 -0.952657
H -2.541126 3.819125 -0.104583
H 4.246028 3.829979 1.287257
H 2.591341 4.446593 0.863241
H 3.650481 3.777120 -0.428978


