%chk=000268642.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000268642

0 1
S 1.240815 1.797866 1.042637
O -2.367537 -1.809313 -1.086067
N -1.702769 0.777871 -0.520811
N -2.991787 0.338298 -0.301886
N -4.535494 -1.468301 -0.402696
C 0.164566 2.221030 -0.361351
C -1.239275 1.866454 0.028599
C 1.983556 0.253530 0.626765
C 1.293680 -0.774243 -0.014902
C 3.310724 0.094328 1.040689
C -1.945888 2.769629 0.991197
C 1.949907 -1.988744 -0.248364
C 3.952075 -1.126330 0.811027
C 3.273614 -2.166608 0.165029
C -3.200564 -1.047850 -0.648810
H 0.274299 3.306489 -0.557028
H 0.492158 1.703541 -1.289850
H 0.253975 -0.659541 -0.338929
H 3.845799 0.905729 1.533869
H -1.314915 3.607990 1.322363
H -2.236552 2.235486 1.908285
H -2.848652 3.210373 0.546145
H 1.417763 -2.796494 -0.751235
H 4.982774 -1.265375 1.131855
H 3.777504 -3.114288 -0.015492
H -3.530784 0.716346 0.489932
H -5.293873 -0.803898 -0.436740
H -4.780119 -2.371176 -0.798633


%chk=000268642-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000268642

0 1
S 1.569144 2.218307 0.595641
O -2.585145 -1.734193 -1.613907
N -1.643236 0.735062 -0.675098
N -2.823289 0.171764 -0.227135
N -4.523448 -1.431883 -0.348680
C 0.107050 2.355916 -0.622102
C -1.184148 1.812557 -0.068784
C 2.092419 0.452970 0.459228
C 1.407749 -0.529418 -0.294426
C 3.271041 0.113826 1.172067
C -1.838126 2.499257 1.117297
C 1.916539 -1.849420 -0.335183
C 3.765075 -1.207579 1.124616
C 3.091446 -2.196543 0.368548
C -3.258347 -1.052089 -0.802140
H 0.048395 3.444093 -0.797089
H 0.378586 1.849198 -1.560536
H 0.480750 -0.303920 -0.829983
H 3.802736 0.877175 1.752152
H -1.194479 3.307354 1.497774
H -2.003433 1.795831 1.958070
H -2.818018 2.940545 0.842321
H 1.376533 -2.602958 -0.919087
H 4.678360 -1.459771 1.675509
H 3.477215 -3.221139 0.331159
H -3.349741 0.584624 0.553554
H -5.139504 -0.832912 0.197254
H -4.877124 -2.323855 -0.685442


