%chk=000257751.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000257751

0 1
S 3.003874 -0.486982 -0.217799
O 1.891983 1.872052 0.379570
O -3.109722 1.713883 0.845150
O -3.701220 -0.322690 0.457516
O 3.231111 -1.937446 -0.966020
O 3.183308 -2.930368 0.082723
N -2.854941 0.550601 0.566307
C -1.024708 -1.104950 0.033710
C -1.433786 0.199799 0.351144
C 0.361371 -1.344926 -0.155625
C 0.838660 0.990663 0.293947
C 1.275534 -0.320761 -0.032665
C -0.505974 1.260355 0.485650
C -1.977841 -2.235510 -0.109200
C 1.584287 3.252719 0.701586
H 0.707298 -2.357462 -0.396440
H -0.871589 2.260226 0.735695
H -1.492323 -3.188115 -0.354900
H -2.564669 -2.390569 0.814682
H -2.731808 -2.034085 -0.891963
H 1.123795 3.317352 1.691974
H 0.951500 3.691469 -0.075639
H 2.584021 3.708015 0.700518
H 3.745437 -3.643870 -0.332022


%chk=000257751-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000257751

0 1
S 3.068286 -0.516302 -0.501166
O 1.913155 1.948594 0.302855
O -3.057454 1.798569 1.050217
O -3.743658 -0.317691 0.576382
O 3.043252 -2.252004 -1.015399
O 3.032312 -3.205522 0.198656
N -2.816944 0.578465 0.681125
C -1.047774 -1.106427 -0.033998
C -1.417358 0.210809 0.368585
C 0.332242 -1.316214 -0.299466
C 0.875870 1.015175 0.224870
C 1.279536 -0.288655 -0.177332
C -0.474914 1.263325 0.498546
C -1.991665 -2.281220 -0.194586
C 1.576658 3.315183 0.723253
H 0.670238 -2.309513 -0.607473
H -0.841464 2.243131 0.811769
H -1.427521 -3.174827 -0.509524
H -2.525572 -2.507063 0.744587
H -2.779412 -2.072313 -0.938849
H 1.144156 3.318113 1.741309
H 0.870933 3.782285 0.011061
H 2.531065 3.859960 0.718390
H 3.999633 -3.466460 0.234087


