%chk=000258716.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000258716

0 1
S -2.114090 2.620292 0.006078
O 2.192928 1.188519 -0.003043
O -1.593574 -2.179980 -0.000433
N 2.606325 -1.101348 0.002290
N 0.396017 -0.305125 0.001663
N -0.541693 1.948358 0.005985
N -2.952855 1.139750 0.002039
N -3.787725 -1.610607 -0.009746
C 4.099665 -1.086634 0.001457
C -0.643482 0.621526 0.002669
C 1.803833 0.043364 -0.000038
C -2.080198 0.154136 0.000387
C 4.725410 0.297687 -0.003343
C -2.445304 -1.292911 -0.003067
H 4.436628 -1.650914 0.904231
H 4.435563 -1.656670 -0.898097
H 2.193531 -2.030697 0.005482
H 0.096368 -1.305319 0.001971
H 4.416379 0.888810 -0.879407
H 4.417393 0.894419 0.869285
H 5.818538 0.237392 -0.003777
H -4.515024 -0.909995 -0.010762
H -4.075133 -2.578451 -0.011424


%chk=000258716-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000258716

0 1
S -2.316447 2.633742 0.005060
O 2.174829 1.342523 0.000260
O -1.437056 -2.217880 -0.005492
N 2.551153 -0.997307 0.001394
N 0.376940 -0.194645 0.000546
N -0.620483 2.033166 0.004977
N -3.073442 1.015962 0.000683
N -3.704638 -1.662904 -0.006155
C 4.030639 -1.100234 0.001379
C -0.696241 0.677336 0.001624
C 1.767074 0.152738 0.000451
C -2.068800 0.123014 -0.000751
C 4.812917 0.226072 -0.002535
C -2.376048 -1.342409 -0.004419
H 4.329183 -1.687536 0.894333
H 4.328645 -1.692408 -0.888517
H 2.064507 -1.896698 0.003135
H 0.064461 -1.187317 -0.001634
H 4.586218 0.834087 -0.891183
H 4.586775 0.838982 0.882849
H 5.891716 -0.019078 -0.002262
H -4.397344 -0.911366 -0.004929
H -3.985058 -2.642237 -0.008415


