%chk=000250751.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000250751

0 1
S -2.022769 -0.216667 1.274675
O 3.229802 -0.887723 -0.961712
O -0.870121 -2.710512 0.084583
O -4.854898 1.263419 -0.941046
O -2.903362 2.160864 -0.342576
N 1.546237 0.548072 -0.346162
N 1.188327 -1.854770 -0.422922
N -0.186785 2.020230 0.432084
C 2.076133 -0.785779 -0.588274
C 0.244525 0.748928 0.164707
C 1.730427 -3.234540 -0.665191
C -0.557452 -0.370037 0.404254
C -0.184855 -1.712252 0.057240
C 2.475183 1.688911 -0.607477
C 2.520406 -3.735575 0.536929
C 2.881838 2.388165 0.659259
C -3.315710 -0.233844 0.006984
C 3.092191 3.700302 0.722039
C -3.592432 1.162972 -0.406342
H 0.858780 -3.901847 -0.872689
H 2.370726 -3.208016 -1.576017
H 3.401931 1.279526 -1.104597
H 2.010381 2.373438 -1.352203
H 3.398726 -3.106914 0.735959
H 1.908786 -3.751251 1.448447
H 2.880376 -4.757647 0.367911
H -1.189578 2.190431 0.614360
H 0.372266 2.836072 0.237226
H 3.021575 1.733418 1.524052
H -4.218132 -0.731030 0.430959
H -3.028816 -0.870999 -0.860044
H 3.418673 4.200123 1.625643
H 2.976151 4.379546 -0.110748
H -5.082630 2.187888 -1.231311


%chk=000250751-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000250751

0 1
S -2.049119 -0.188628 1.511014
O 3.286213 -0.905548 -0.980527
O -0.859489 -2.747896 0.202218
O -4.697334 1.103210 -1.333847
O -2.943066 2.202438 -0.299708
N 1.598470 0.537169 -0.224019
N 1.217751 -1.825506 -0.383984
N -0.099039 2.022540 0.512095
C 2.105272 -0.762657 -0.543298
C 0.308300 0.734572 0.297110
C 1.707455 -3.186215 -0.744398
C -0.517028 -0.377736 0.546388
C -0.129197 -1.712180 0.137475
C 2.471829 1.687814 -0.581636
C 2.420692 -3.871908 0.436525
C 2.938719 2.498157 0.613051
C -3.362617 -0.209196 0.158959
C 2.954582 3.854764 0.652459
C -3.597832 1.148373 -0.475821
H 0.818296 -3.763469 -1.044135
H 2.392646 -3.074673 -1.600251
H 3.348056 1.228673 -1.075981
H 1.951347 2.329181 -1.317863
H 3.305791 -3.292894 0.751568
H 1.734892 -3.984322 1.293724
H 2.759102 -4.879370 0.133294
H -1.103720 2.185330 0.654969
H 0.564427 2.792131 0.586333
H 3.320682 1.914022 1.462216
H -4.299630 -0.571166 0.615079
H -3.060723 -0.949326 -0.600547
H 3.355420 4.396341 1.515306
H 2.593936 4.462613 -0.188280
H -4.839183 1.998265 -1.747489


