%chk=000299065.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000299065

0 1
S 3.091398 -0.746087 -0.538789
S -3.091556 -0.745061 0.539636
O 3.346496 0.564374 1.768224
O -3.346500 0.563121 -1.768688
N 5.290342 0.291401 0.575789
N -5.290384 0.291496 -0.576008
C 6.103194 1.018914 1.597263
C 5.995917 -0.175192 -0.646486
C -6.103167 1.018056 -1.598215
C -5.996003 -0.173824 0.646724
C 3.936965 0.157968 0.792556
C -3.937016 0.157735 -0.792624
C 6.836164 0.045270 2.515752
C 5.904559 0.844094 -1.779423
C -6.836209 0.043556 -2.515739
C -5.904559 0.846578 1.778646
C 1.367803 -0.644467 -0.181700
C -1.367949 -0.644067 0.182429
C 0.856638 -0.642016 1.116859
C -0.529718 -0.631224 1.302186
C 0.529575 -0.632430 -1.301464
C -0.856785 -0.642816 -1.116127
H 6.819696 1.689119 1.074533
H 5.422859 1.671340 2.198647
H 7.063843 -0.359039 -0.382596
H 5.596211 -1.164463 -0.970764
H -6.819619 1.688841 -1.076161
H -5.422773 1.669826 -2.200244
H -7.063945 -0.357845 0.383013
H -5.596375 -1.162804 0.971981
H 6.130763 -0.605739 3.051095
H 7.525081 -0.607057 1.968263
H 7.418319 0.584963 3.272068
H 4.864266 1.022002 -2.087300
H 6.321638 1.816310 -1.492560
H 6.448318 0.496089 -2.665220
H -6.130856 -0.608047 -3.050424
H -7.525186 -0.608167 -1.967606
H -7.418310 0.582541 -3.272600
H -4.864252 1.024703 2.086346
H -6.321556 1.818543 1.490818
H -6.448348 0.499497 2.664788
H 1.524356 -0.621993 1.985135
H -0.936834 -0.610720 2.314057
H 0.936694 -0.612859 -2.313352
H -1.524497 -0.623417 -1.984421


%chk=000299065-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000299065

0 1
S 3.201963 -1.247315 -0.519806
S -3.202119 -1.246097 0.521254
O 3.123302 0.788427 1.395576
O -3.123168 0.787927 -1.395960
N 5.209393 0.404983 0.417683
N -5.209415 0.405321 -0.418076
C 5.835546 1.473827 1.243615
C 6.073017 -0.310512 -0.551298
C -5.835441 1.473435 -1.245048
C -6.073142 -0.309214 0.551525
C 3.863480 0.169789 0.591257
C -3.863507 0.169869 -0.591342
C 6.417080 0.932654 2.565988
C 6.122361 0.373586 -1.934105
C -6.417217 0.931002 -2.566801
C -6.122342 0.376039 1.933763
C 1.396351 -1.146623 -0.188168
C -1.396495 -1.146129 0.189432
C 0.868840 -1.153011 1.122789
C -0.530653 -1.134365 1.308316
C 0.530513 -1.136272 -1.307068
C -0.868985 -1.154439 -1.121517
H 6.625902 1.947640 0.631977
H 5.063951 2.232918 1.454859
H 7.086701 -0.359787 -0.111181
H 5.724786 -1.353708 -0.652509
H -6.625648 1.948043 -0.633831
H -5.063710 2.232145 -1.457150
H -7.086841 -0.358674 0.111466
H -5.725096 -1.352389 0.653594
H 5.614181 0.503740 3.189201
H 7.176072 0.149727 2.384773
H 6.897505 1.750067 3.134467
H 5.118807 0.388628 -2.392186
H 6.484376 1.414453 -1.852068
H 6.805105 -0.175258 -2.608380
H -5.614466 0.501334 -3.189685
H -7.176294 0.148368 -2.384682
H -6.897604 1.747902 -3.136046
H -5.118778 0.391277 2.391814
H -6.484168 1.416904 1.850870
H -6.805173 -0.172124 2.608503
H 1.535758 -1.144704 1.987490
H -0.945338 -1.110874 2.321053
H 0.945203 -1.114264 -2.319836
H -1.535899 -1.147244 -1.986228


