%chk=000216840.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000216840

0 1
S -2.174046 2.225350 -0.001603
S 2.174014 -2.225333 -0.000348
C -1.387336 -0.286617 -0.000171
C 1.387303 0.286634 -0.000088
C -0.876077 1.037124 -0.000779
C 0.876045 -1.037108 -0.000142
C -0.481071 -1.365786 -0.000168
C 0.481038 1.365802 -0.000898
C -2.856171 -0.310170 0.000204
C 2.856138 0.310184 0.000657
C -3.419129 0.991166 -0.000668
C 3.419095 -0.991147 0.000251
C -0.929343 -2.786478 -0.000582
C 0.929312 2.786493 -0.002369
C -3.732096 -1.402535 0.001498
C 3.732063 1.402554 0.001956
C -4.787555 1.224160 -0.000583
C 4.787526 -1.224142 0.000607
C -5.113656 -1.182792 0.001565
C 5.113618 1.182812 0.002238
C -5.640861 0.115226 0.000484
C 5.640827 -0.115211 0.001494
H -1.537184 -3.007774 -0.892529
H -0.107274 -3.515680 0.000402
H -1.539267 -3.007758 0.889952
H 1.535849 3.007426 -0.895310
H 0.107246 3.515697 -0.000454
H 1.540538 3.008130 0.887166
H -3.354540 -2.422551 0.002527
H 3.354497 2.422566 0.002732
H -5.188982 2.235851 -0.001343
H 5.188944 -2.235836 0.000065
H -5.790902 -2.036235 0.002542
H 5.790872 2.036251 0.003058
H -6.719746 0.262504 0.000460
H 6.719713 -0.262478 0.001676


%chk=000216840-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000216840

0 1
S -2.203569 2.315238 -0.000514
S 2.203536 -2.315221 0.001310
C -1.407261 -0.289411 0.000077
C 1.407228 0.289427 0.000215
C -0.884202 1.048487 -0.000097
C 0.884169 -1.048470 0.000658
C -0.486271 -1.380389 0.000628
C 0.486238 1.380405 0.000047
C -2.880339 -0.313700 -0.000189
C 2.880306 0.313717 0.000146
C -3.452477 0.999988 -0.000479
C 3.452444 -0.999971 0.000808
C -0.929002 -2.831584 0.001298
C 0.928969 2.831601 0.000274
C -3.787463 -1.411842 -0.000271
C 3.787429 1.411858 -0.000649
C -4.841290 1.232350 -0.000789
C 4.841257 -1.232333 0.000898
C -5.179632 -1.193601 -0.000572
C 5.179599 1.193618 -0.000579
C -5.710621 0.121109 -0.000812
C 5.710588 -0.121092 0.000249
H -1.535385 -3.069296 -0.892465
H -0.064628 -3.516006 0.002068
H -1.536118 -3.068227 0.894852
H 1.535056 3.069158 -0.893737
H 0.064595 3.516023 0.001229
H 1.536380 3.068399 0.893580
H -3.419386 -2.438102 -0.000156
H 3.419353 2.438118 -0.001450
H -5.239980 2.252312 -0.001007
H 5.239947 -2.252295 0.001442
H -5.858239 -2.053568 -0.000627
H 5.858206 2.053584 -0.001185
H -6.794675 0.278736 -0.001028
H 6.794642 -0.278718 0.000325


