%chk=000227729.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000227729

0 1
S 0.828334 -0.640524 -0.058427
S -0.275366 1.065922 -2.321569
O -1.674150 -0.054329 -0.545258
N 3.377560 -0.811496 -0.163903
N -3.439352 -0.838347 0.805019
C 2.364397 -0.137008 -0.980668
C -1.999505 -0.885565 0.674923
C 4.114492 -1.865724 -0.916698
C 4.307255 0.143316 0.503260
C -4.158657 -1.485936 -0.329345
C -3.964042 0.527210 1.094011
C -0.455353 0.136876 -0.982539
H 2.279464 -0.488047 -2.029882
H 2.419940 0.971140 -0.999344
H -1.483812 -0.407350 1.530043
H -1.628924 -1.908333 0.468816
H 4.762096 -2.416888 -0.214264
H 4.739145 -1.490859 -1.740892
H 3.393452 -2.594209 -1.325148
H 3.724346 0.853947 1.113724
H 4.949685 0.715051 -0.182602
H 4.954919 -0.417800 1.197694
H -3.820345 -2.529212 -0.434288
H -4.011819 -0.976015 -1.296516
H -5.237487 -1.510094 -0.106822
H -3.486776 0.921429 2.005438
H -5.046571 0.464778 1.289457
H -3.796727 1.248769 0.276478


%chk=000227729-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000227729

0 1
S 0.914227 -0.598320 -0.206198
S -0.088075 1.230717 -2.545121
O -1.659617 0.085992 -0.732802
N 3.796218 -0.463782 -0.727152
N -3.388098 -0.821926 0.760810
C 2.599320 -0.005477 -1.288274
C -2.007538 -0.836726 0.556724
C 4.118467 -1.895051 -0.858787
C 4.267189 0.178330 0.512326
C -4.232808 -1.564059 -0.195316
C -3.990928 0.414525 1.295708
C -0.383090 0.263181 -1.176145
H 2.368782 -0.426911 -2.275383
H 2.474879 1.085354 -1.275994
H -1.440569 -0.373100 1.379552
H -1.617508 -1.830660 0.285979
H 3.578223 -2.518323 -0.112096
H 5.203892 -2.046100 -0.722155
H 3.841484 -2.246586 -1.866765
H 4.094709 1.266085 0.455777
H 5.350683 0.001913 0.633404
H 3.742376 -0.210421 1.412852
H -3.737848 -2.511135 -0.470328
H -4.420556 -0.987239 -1.124755
H -5.202709 -1.802938 0.276691
H -3.332915 0.842964 2.071074
H -4.965916 0.179248 1.758888
H -4.146076 1.181147 0.508183


