%chk=000180446.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000180446

0 1
O -3.343068 -0.824073 1.342008
O 4.824470 -1.294554 0.598493
O -5.123986 0.493011 0.970744
O -1.016463 -4.122443 -0.386097
O 3.038824 -0.960453 1.921249
C 2.089125 1.181276 -0.110511
C 0.837667 0.295057 0.056975
C -0.443285 1.063617 -0.058028
C 1.922598 2.093146 -1.338915
C 0.735314 3.041297 -1.137751
C -0.509892 2.350707 -0.653369
C -1.632669 0.506286 0.395859
C 3.312921 0.326809 -0.187176
C -1.884983 -0.824846 1.075401
C -2.861998 1.189650 0.268335
C -1.736553 3.018503 -0.774913
C -2.931661 2.443993 -0.315177
C -3.940398 0.349142 0.848697
C 4.293931 0.252956 -1.100383
C -1.582824 -2.015117 0.243517
C 3.613919 -0.655717 0.914884
C 5.319425 -0.767875 -0.677960
C -1.692910 -2.107802 -1.197232
C -1.178479 -3.253012 0.688423
C -1.345303 -3.386559 -1.534716
H 2.186644 1.829245 0.804495
H 0.891175 -0.228797 1.039606
H 0.833561 -0.516026 -0.705655
H 2.842530 2.681981 -1.513570
H 1.766117 1.479460 -2.247692
H 1.005046 3.832621 -0.402665
H 0.531690 3.579106 -2.087755
H -1.430233 -0.879102 2.092099
H -1.770560 4.006446 -1.234043
H -3.883461 2.967178 -0.412059
H 4.407003 0.802600 -2.020475
H 6.316647 -0.346333 -0.464042
H 5.397244 -1.637843 -1.352624
H -2.004674 -1.306809 -1.840826
H -0.965090 -3.698730 1.635866
H -1.266760 -3.957695 -2.432018


%chk=000180446-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000180446

0 1
O -3.433769 -0.833042 1.287285
O 4.929341 -1.232274 0.726136
O -5.215423 0.648764 0.949043
O -0.757887 -4.066445 -0.485912
O 3.120538 -0.719448 2.122653
C 2.101368 1.164862 -0.096321
C 0.834910 0.269698 0.031900
C -0.461341 1.060826 -0.078577
C 1.954970 2.098893 -1.316858
C 0.769584 3.064441 -1.109414
C -0.505401 2.372230 -0.637087
C -1.683393 0.507448 0.363859
C 3.346044 0.312801 -0.129018
C -1.947608 -0.850516 1.007702
C -2.896441 1.214337 0.269768
C -1.742469 3.071278 -0.734261
C -2.951729 2.509943 -0.282053
C -4.002721 0.401080 0.836048
C 4.297993 0.160477 -1.091685
C -1.606344 -2.047698 0.166223
C 3.710540 -0.555795 1.038853
C 5.355201 -0.816266 -0.631542
C -1.991135 -2.286136 -1.215295
C -0.867242 -3.147049 0.567760
C -1.466088 -3.511739 -1.572570
H 2.152035 1.791298 0.820726
H 0.872318 -0.278431 0.990535
H 0.856994 -0.502170 -0.764820
H 2.881562 2.683374 -1.474212
H 1.789708 1.487001 -2.226681
H 1.055580 3.828363 -0.356367
H 0.563629 3.620902 -2.043491
H -1.457433 -0.932037 1.996586
H -1.742172 4.077748 -1.170370
H -3.903094 3.046722 -0.347274
H 4.335158 0.651484 -2.066204
H 6.361341 -0.364900 -0.549812
H 5.418670 -1.722482 -1.262191
H -2.593600 -1.632058 -1.842940
H -0.372831 -3.427111 1.494039
H -1.488762 -4.118071 -2.473162


