%chk=000207107.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000207107

0 1
S -4.746162 1.018765 -0.689019
S -4.320666 -1.803011 0.097193
N 0.267356 0.550100 0.124758
N -2.550237 0.142526 0.541917
C -0.269518 -0.848157 0.195910
C -0.731055 1.496843 -0.467056
C -1.550074 -0.828996 1.074994
C 1.586128 0.639544 -0.582932
C -1.984718 1.517398 0.432600
C 2.689642 0.066013 0.322473
C -0.542391 -1.519733 -1.153319
C 4.073085 0.257673 -0.309875
C -3.728406 -0.252074 0.038897
C 5.180025 -0.319759 0.583936
C 6.562146 -0.131320 -0.036915
H 0.502820 -1.452444 0.748294
H -1.012327 1.244535 -1.512657
H -0.284686 2.515688 -0.485081
H -1.979242 -1.856860 1.142859
H -1.292701 -0.518964 2.114303
H 1.585308 0.122049 -1.566621
H 1.802512 1.711368 -0.788430
H -1.707371 1.853446 1.462364
H -2.717777 2.258201 0.050414
H 2.647025 0.560041 1.314283
H 2.505373 -1.008270 0.517542
H 0.364041 -1.587751 -1.764001
H -0.923134 -2.540800 -1.018972
H -1.300571 -0.987318 -1.739934
H 4.107718 -0.225146 -1.305480
H 4.263509 1.333464 -0.489816
H 5.149032 0.163122 1.580569
H 4.995400 -1.396941 0.764530
H 7.345202 -0.546432 0.607881
H 6.640687 -0.630516 -1.009385
H 6.794780 0.928264 -0.192767
H -5.835957 0.252853 -0.959757


%chk=000207107-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000207107

0 1
S -4.889015 1.051559 -0.671760
S -4.412721 -1.864884 0.273348
N 0.246470 0.595445 0.088939
N -2.574459 0.168373 0.456991
C -0.277524 -0.795423 0.260325
C -0.738566 1.497697 -0.549529
C -1.576455 -0.725278 1.099223
C 1.594962 0.704835 -0.524018
C -2.043655 1.542228 0.271732
C 2.694443 -0.037267 0.262488
C -0.494384 -1.592866 -1.055250
C 4.110288 0.307507 -0.253559
C -3.814711 -0.273721 0.089561
C 5.228686 -0.463980 0.483699
C 6.641973 -0.101858 -0.021123
H 0.456851 -1.340358 0.882904
H -0.980720 1.212044 -1.602297
H -0.310087 2.517430 -0.576304
H -2.031197 -1.722022 1.211074
H -1.342517 -0.309768 2.098536
H 1.608707 0.357058 -1.588730
H 1.848289 1.783882 -0.545172
H -1.832005 1.967548 1.272038
H -2.785739 2.180779 -0.231858
H 2.608011 0.233750 1.333548
H 2.548025 -1.134172 0.193106
H 0.428554 -1.623205 -1.662254
H -0.780825 -2.633970 -0.822982
H -1.301830 -1.160351 -1.671730
H 4.174342 0.090224 -1.340713
H 4.286625 1.397950 -0.143049
H 5.157757 -0.256676 1.570896
H 5.059756 -1.553638 0.363493
H 7.422574 -0.666613 0.520836
H 6.748449 -0.327994 -1.099009
H 6.848436 0.976393 0.116601
H -5.941992 0.176742 -0.846301


