%chk=000257227.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000257227

0 1
S 1.063171 -0.700653 0.603143
O 0.517837 -1.474948 -0.498972
O 1.140465 -1.283930 1.927605
O -4.402445 -1.154340 0.374550
N 0.146836 0.765410 0.771984
N -4.798599 0.443675 -1.178713
N -5.955018 -0.202509 -1.691594
C -2.758206 0.652569 0.213961
C -2.171208 0.075386 1.514466
C -1.718565 0.582509 -0.917270
C -0.849164 0.766548 1.880577
C -0.426955 1.304007 -0.490905
C -4.014273 -0.131087 -0.161862
C 2.617923 -0.102142 0.126331
C 3.403971 0.611638 1.034814
C 3.088886 -0.355488 -1.166226
C 4.662666 1.083564 0.646964
C 4.346098 0.114618 -1.554848
C 5.131544 0.834893 -0.647080
H -3.040943 1.721079 0.391840
H -2.898637 0.178263 2.342940
H -2.026477 -1.022346 1.405039
H -1.484530 -0.483473 -1.156270
H -2.106505 1.024680 -1.850587
H -1.033642 1.827892 2.162957
H -0.397010 0.275042 2.776528
H 0.332680 1.241174 -1.300635
H -0.626562 2.389378 -0.333909
H -4.493387 1.213225 -1.772522
H 3.043296 0.799828 2.050579
H 2.475480 -0.929489 -1.871531
H 5.276724 1.639555 1.353785
H 4.715553 -0.083636 -2.559826
H 6.113688 1.200739 -0.949397
H -6.687939 -0.191627 -0.966618
H -5.755552 -1.201202 -1.857700


%chk=000257227-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000257227

0 1
S 1.131227 -0.756406 0.746946
O 0.679631 -1.833051 -0.402335
O 1.209725 -1.193782 2.315553
O -4.048337 -1.439199 -0.636557
N 0.098398 0.859505 0.749850
N -5.150301 0.602086 -0.720910
N -6.391120 0.061200 -1.155643
C -2.777471 0.586650 -0.030856
C -2.264947 0.040581 1.328111
C -1.649286 0.448316 -1.089937
C -0.983720 0.780573 1.775268
C -0.375461 1.193067 -0.627128
C -4.023969 -0.182302 -0.481198
C 2.801518 -0.059626 0.196478
C 3.510306 0.771398 1.079228
C 3.276381 -0.456267 -1.063191
C 4.773514 1.245427 0.655873
C 4.542619 0.028884 -1.467927
C 5.283845 0.877446 -0.612859
H -3.028581 1.664610 0.087402
H -3.037581 0.158868 2.111827
H -2.067903 -1.042290 1.222766
H -1.427549 -0.623444 -1.239665
H -1.974466 0.867028 -2.061941
H -1.212280 1.836958 2.027827
H -0.550335 0.308913 2.675487
H 0.456197 1.020192 -1.334593
H -0.557551 2.287844 -0.605759
H -5.133083 1.615139 -0.594339
H 3.097441 1.031543 2.058371
H 2.681751 -1.133937 -1.685061
H 5.356600 1.896019 1.315963
H 4.947345 -0.260630 -2.443248
H 6.264503 1.247377 -0.931383
H -6.756256 -0.598299 -0.452841
H -6.269604 -0.421590 -2.057983


