%chk=000257238.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000257238

0 1
S 3.586516 -0.236155 0.291309
S -3.418183 -1.194195 0.179471
O 0.949164 2.855236 -0.587456
O -1.932415 2.785237 -0.471304
O 2.101401 1.631544 1.008320
O -3.315029 1.237527 0.498048
N 5.587070 -1.973166 0.198988
N -4.310051 -3.682840 -0.040855
N 3.732207 -2.330928 -1.347036
N -1.890358 -3.359086 -0.069463
C 0.188044 1.644756 -0.382871
C -1.079665 2.014131 0.410513
C 1.159459 0.716138 0.388750
C -1.976079 0.850641 0.915380
C 1.946739 -0.225572 -0.506035
C -1.723446 -0.530667 0.334579
C 2.089673 2.880753 0.291656
C -3.188556 2.105597 -0.643718
C 4.356854 -1.684099 -0.427535
C -3.108462 -2.947318 -0.026203
H -0.064110 1.316020 -1.414565
H -0.822483 2.729661 1.226375
H 0.708333 0.194377 1.261599
H -2.050803 0.830783 2.026987
H 2.043020 0.117386 -1.554092
H 1.514058 -1.246975 -0.558669
H -1.237670 -0.538947 -0.657448
H -1.104008 -1.178889 0.988319
H 2.983936 2.963894 -0.343785
H 1.961186 3.675289 1.040644
H -3.986651 2.857672 -0.568122
H -3.167104 1.520949 -1.574284
H 6.015552 -1.270615 0.785747
H 6.263700 -2.514427 -0.319803
H -5.184566 -3.195061 -0.176240
H -4.299662 -4.597078 -0.469748
H 4.132863 -3.162294 -1.768316
H -1.671271 -4.344281 -0.174539


%chk=000257238-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000257238

0 1
S 3.338582 -0.858787 0.532011
S -3.186220 -1.695376 -0.224242
O 1.006157 2.889457 -0.631551
O -1.958475 2.990469 -0.627504
O 1.732186 1.664144 1.262998
O -3.457210 1.684132 0.677840
N 4.547903 -3.199613 0.115589
N -1.876385 -4.010983 0.291189
N 2.231009 -3.149669 -0.581633
N -0.461782 -2.170750 -0.423062
C 0.126448 1.701367 -0.491151
C -1.188763 2.046586 0.221116
C 1.024601 0.735612 0.334832
C -2.212882 0.896351 0.450728
C 2.011621 -0.036027 -0.547185
C -2.359903 -0.085672 -0.720060
C 1.742924 2.998569 0.627981
C -3.370510 2.839475 -0.227417
C 3.311830 -2.598577 -0.081412
C -1.586385 -2.716542 -0.123669
H -0.068005 1.357151 -1.518888
H -0.972715 2.518370 1.202454
H 0.454100 0.033997 0.961842
H -2.027605 0.357634 1.393224
H 2.536572 0.632635 -1.247559
H 1.491636 -0.846178 -1.082593
H -2.930391 0.345261 -1.556886
H -1.365910 -0.445448 -1.059896
H 2.770689 3.317604 0.379873
H 1.258926 3.704368 1.331368
H -3.729630 3.718754 0.337996
H -3.954457 2.686019 -1.156038
H 5.362441 -2.639492 0.362575
H 4.653760 -4.209917 0.038010
H -2.830487 -4.296102 0.505511
H -1.121460 -4.679084 0.429704
H 2.374139 -4.099807 -0.972968
H 0.472856 -2.664936 -0.418528


