%chk=000268517.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000268517

0 1
S -0.893180 -0.521687 2.293333
S 0.879777 0.509761 2.301158
C -1.556111 -1.631282 -0.100000
C 1.555842 1.631175 -0.083016
C -2.504003 -0.506599 -0.278870
C 2.504365 0.507110 -0.262436
C -0.734102 -1.725836 1.031469
C 0.727907 1.720334 1.044557
C -1.478847 -2.633238 -1.081526
C 1.483988 2.638000 -1.059962
C 0.156122 -2.791425 1.190858
C -0.162850 2.785390 1.204577
C -3.853878 -0.671309 0.066909
C 3.852112 0.669163 0.092780
C -2.059628 0.710998 -0.814705
C 2.062820 -0.707140 -0.808100
C -0.589276 -3.699150 -0.927665
C 0.593916 3.703400 -0.905471
C 0.228685 -3.780061 0.205368
C -0.229953 3.778936 0.223652
C -4.752701 0.381930 -0.121383
C 4.751634 -0.383384 -0.095999
C -2.964912 1.759466 -0.999693
C 2.968790 -1.754952 -0.993491
C -4.310606 1.596829 -0.655356
C 4.312364 -1.594952 -0.639795
H -2.115870 -2.572859 -1.963305
H 2.125604 2.581798 -1.938682
H 0.795721 -2.852220 2.073865
H -0.807064 2.841978 2.084501
H -4.196344 -1.615365 0.487023
H 4.192341 1.610603 0.520517
H -1.009651 0.844012 -1.075860
H 1.014441 -0.838147 -1.076578
H -0.533652 -4.472360 -1.693470
H 0.542520 4.480424 -1.667706
H 0.919574 -4.613129 0.321697
H -0.921199 4.611636 0.340492
H -5.799181 0.255804 0.150611
H 5.796447 -0.259337 0.183260
H -2.616591 2.706173 -1.409465
H 2.622622 -2.699098 -1.410922
H -5.012885 2.414973 -0.800332
H 5.015191 -2.412561 -0.785136


%chk=000268517-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000268517

0 1
S -1.082420 -0.452545 2.491705
S 1.067380 0.434158 2.500114
C -1.811882 -1.782361 0.059563
C 1.809930 1.780473 0.081321
C -2.717767 -0.659503 -0.337369
C 2.718991 0.660867 -0.317623
C -0.989806 -1.793170 1.230919
C 0.981030 1.783122 1.247920
C -1.767341 -2.933599 -0.780092
C 1.769494 2.937113 -0.751080
C -0.157743 -2.905855 1.519406
C 0.146473 2.893300 1.538736
C -4.064183 -0.938231 -0.698119
C 4.067175 0.943159 -0.668885
C -2.256446 0.680965 -0.425332
C 2.259437 -0.679425 -0.416624
C -0.931812 -4.032701 -0.497651
C 0.931542 4.033793 -0.466385
C -0.112533 -4.018406 0.656069
C 0.105522 4.011400 0.682377
C -4.928833 0.094020 -1.124150
C 4.935203 -0.085521 -1.096682
C -3.117998 1.711621 -0.857149
C 3.124398 -1.706466 -0.850261
C -4.458409 1.424734 -1.206098
C 4.466467 -1.416074 -1.189899
H -2.380333 -2.937051 -1.688195
H 2.387844 2.946930 -1.655495
H 0.450113 -2.885960 2.429513
H -0.466702 2.867092 2.445111
H -4.440223 -1.964976 -0.618620
H 4.441736 1.969733 -0.580673
H -1.220452 0.916956 -0.167088
H 1.222314 -0.918058 -0.165417
H -0.915401 -4.892287 -1.176739
H 0.918492 4.897800 -1.139914
H 0.538464 -4.867663 0.889599
H -0.547480 4.858657 0.917581
H -5.966948 -0.139608 -1.385951
H 5.974562 0.150733 -1.351091
H -2.737111 2.736953 -0.923651
H 2.744920 -2.731722 -0.925433
H -5.126921 2.227232 -1.537669
H 5.137558 -2.215826 -1.522896


