%chk=000179545.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000179545

0 1
C 0.583696 -1.008053 -0.042546
C -0.398308 -0.694424 0.920795
C 1.125630 -2.310228 -0.075529
C 1.034857 0.032609 -1.035751
C -0.997762 0.684916 1.045568
C 2.190943 -2.712890 -1.065037
C -0.845688 -1.680895 1.813001
C 0.669023 -3.281992 0.828013
C 1.970735 1.059274 -0.454346
C -2.322775 0.773668 0.334948
C -0.316121 -2.970407 1.765024
C 1.577128 -3.390003 -2.290216
C 2.957375 0.692585 0.473937
C 1.876459 2.397583 -0.869095
C -3.521635 0.760019 1.063564
C -2.366202 0.878670 -1.064276
C 3.836426 1.652933 0.980022
C 2.759690 3.353604 -0.360579
C -4.746912 0.855005 0.397323
C -3.591988 0.972600 -1.725364
C 3.741302 2.985022 0.564371
C -4.785967 0.962944 -0.996048
H 0.131814 0.521446 -1.480813
H 1.541487 -0.445527 -1.906023
H -0.303367 1.463627 0.659668
H -1.110248 0.944749 2.120850
H 2.791884 -1.833852 -1.380255
H 2.918100 -3.397596 -0.581323
H -1.616455 -1.439602 2.542555
H 1.083271 -4.287724 0.793961
H -0.670581 -3.731365 2.457827
H 0.860287 -2.732380 -2.796267
H 1.033644 -4.301522 -2.012293
H 2.346685 -3.669766 -3.017497
H 3.031195 -0.342371 0.806501
H 1.116989 2.695977 -1.588276
H -3.501285 0.672742 2.147445
H -1.431375 0.875614 -1.632585
H 4.598074 1.362177 1.701817
H 2.681523 4.389567 -0.686346
H -5.674425 0.843899 0.967407
H -3.619067 1.052400 -2.810611
H 4.427083 3.730624 0.959465
H -5.740536 1.037142 -1.511382


%chk=000179545-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000179545

0 1
C 0.789950 -1.123959 -0.488699
C -0.491368 -0.772262 0.046111
C 1.311592 -2.436343 -0.267547
C 1.594806 -0.088053 -1.274285
C -1.049004 0.646668 -0.134389
C 2.655316 -2.895846 -0.830460
C -1.225306 -1.728834 0.787803
C 0.549121 -3.370098 0.480131
C 2.201068 1.039112 -0.429246
C -2.556874 0.791640 0.024408
C -0.711215 -3.023866 1.005901
C 2.555289 -3.395627 -2.297464
C 2.745190 0.781484 0.855256
C 2.272556 2.359754 -0.940922
C -3.110692 1.522906 1.104438
C -3.442927 0.212171 -0.922284
C 3.351007 1.815453 1.604020
C 2.878194 3.396767 -0.195897
C -4.510893 1.677355 1.237621
C -4.840674 0.363313 -0.795365
C 3.422398 3.127733 1.081139
C -5.381438 1.098473 0.286858
H 0.963238 0.367040 -2.062513
H 2.417377 -0.590508 -1.814006
H -0.759782 1.023562 -1.134847
H -0.537797 1.316537 0.585463
H 3.411655 -2.090473 -0.768024
H 3.038185 -3.723506 -0.203822
H -2.205666 -1.455574 1.191616
H 0.956561 -4.374430 0.650681
H -1.287619 -3.753563 1.585796
H 2.198108 -2.596521 -2.972746
H 1.842602 -4.236568 -2.373624
H 3.538996 -3.741074 -2.665742
H 2.678766 -0.229625 1.273965
H 1.849995 2.577871 -1.930369
H -2.440353 1.976305 1.845224
H -3.030117 -0.364263 -1.759488
H 3.765086 1.598308 2.595552
H 2.921676 4.411425 -0.608222
H -4.918749 2.248394 2.079567
H -5.508109 -0.088550 -1.538246
H 3.890725 3.929953 1.662472
H -6.466270 1.218120 0.385787


