%chk=000256549.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000256549

0 1
S 2.509044 -2.637434 -0.346843
S 4.612735 0.605884 0.540484
N -1.313226 0.571255 1.331144
N 1.365824 -0.479626 0.614058
C -0.689252 -0.594359 2.014257
C -0.315364 1.362842 0.532228
C 0.298796 -1.381770 1.137837
C 1.145605 0.976390 0.827516
C -2.536648 0.321847 0.601464
C 2.414255 -0.996739 -0.068552
C -3.103242 -0.954700 0.444401
C -3.232260 1.448541 0.108138
C 3.480400 -0.138971 -0.562780
C -4.341946 -1.101148 -0.184437
C -4.462618 1.290239 -0.522444
C -5.032094 0.013979 -0.676778
C 3.827589 0.141017 -1.853010
C -6.355018 -0.136563 -1.354433
C 4.998342 0.982344 -1.955594
C 5.532708 1.321042 -0.750778
H -1.474997 -1.278849 2.405524
H -0.174385 -0.190245 2.918614
H -0.467537 2.432302 0.809857
H -0.507941 1.277073 -0.561516
H 0.765223 -2.211629 1.724867
H -0.223739 -1.865335 0.275818
H 1.819467 1.576937 0.173866
H 1.412805 1.229850 1.881008
H -2.591150 -1.842986 0.807662
H -2.819237 2.446560 0.239175
H -4.767960 -2.097642 -0.294524
H -4.991801 2.165905 -0.895986
H 3.303204 -0.225923 -2.727998
H -6.335202 0.284666 -2.369484
H -6.666286 -1.184854 -1.448685
H -7.147338 0.385438 -0.798896
H 5.389942 1.288643 -2.917452
H 6.400402 1.925820 -0.547728


%chk=000256549-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000256549

0 1
S 3.486703 -2.531564 -0.454152
S 3.895536 1.540869 1.035415
N -1.303853 -0.242778 0.058579
N 1.602676 -0.641141 0.083082
C -0.671656 -1.275844 0.896323
C -0.399370 0.603969 -0.733819
C 0.648418 -1.762563 0.275250
C 0.981683 0.705825 -0.055325
C -2.695086 -0.040310 0.055280
C 2.928115 -0.918402 -0.178520
C -3.535253 -0.635326 1.043772
C -3.322387 0.769769 -0.941817
C 3.905474 0.186467 -0.198129
C -4.930388 -0.427388 1.024541
C -4.715779 0.971808 -0.935005
C -5.556241 0.380136 0.043358
C 5.032247 0.300393 -1.010641
C -7.058898 0.606634 0.035064
C 5.871081 1.428440 -0.712838
C 5.417111 2.189829 0.354132
H -1.341874 -2.152625 0.965274
H -0.492609 -0.918241 1.935268
H -0.812686 1.628776 -0.795767
H -0.276365 0.232484 -1.775312
H 1.127412 -2.516992 0.924741
H 0.462304 -2.261339 -0.696519
H 1.641029 1.343657 -0.665432
H 0.866456 1.184298 0.936607
H -3.104231 -1.240595 1.847377
H -2.727945 1.219083 -1.743975
H -5.544126 -0.898615 1.802626
H -5.162533 1.595855 -1.719893
H 5.244073 -0.436861 -1.787593
H -7.512965 0.292266 -0.924021
H -7.554695 0.037294 0.840650
H -7.311354 1.674933 0.178353
H 6.785747 1.662011 -1.262485
H 5.861328 3.075591 0.805551


