%chk=000258527.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000258527

0 1
S -0.505308 0.063585 -0.849224
S 0.536920 0.041019 0.937671
O -1.371137 1.401047 1.498213
O 1.371569 1.486559 -1.356644
O -3.191033 1.986452 0.314862
O 3.177403 2.067123 -0.149578
N -4.113296 -0.797915 0.794846
N 4.162623 -0.675328 -0.736649
C -2.036789 -0.949281 -0.590720
C 2.090696 -0.926675 0.641244
C -2.689921 -0.411676 0.713196
C 2.730992 -0.324688 -0.640728
C -1.710673 -2.421445 -0.466573
C -2.831654 -0.625964 -1.846673
C 1.797663 -2.399894 0.460399
C 2.878572 -0.634032 1.909052
C -2.494627 1.109306 0.765332
C 2.501308 1.192373 -0.634278
H -2.158133 -0.866910 1.601586
H 2.209226 -0.757284 -1.546237
H -1.041400 -2.640370 0.375716
H -1.241966 -2.819003 -1.375567
H -2.630575 -3.005004 -0.293547
H -2.269362 -0.842427 -2.766310
H -3.747157 -1.234444 -1.898226
H -3.140279 0.429704 -1.894852
H 1.132894 -2.601214 -0.389822
H 1.338671 -2.842637 1.353311
H 2.730333 -2.955518 0.265060
H 2.321591 -0.898087 2.819451
H 3.807503 -1.223362 1.937699
H 3.163482 0.425672 1.997854
H -4.668091 -0.330940 0.079419
H -4.506478 -0.548399 1.698807
H 4.707035 -0.224596 -0.003091
H 4.549860 -0.381761 -1.629883
H -1.172420 2.378467 1.544432
H 1.150656 2.460246 -1.365246


%chk=000258527-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000258527

0 1
S -0.605385 0.125293 -0.906023
S 0.635277 0.095434 0.999446
O -2.384697 2.010027 1.439236
O 2.359248 2.113419 -1.266872
O -3.849325 1.786590 -0.348513
O 3.843201 1.854964 0.500050
N -4.222048 -0.896629 0.961800
N 4.271725 -0.765148 -0.911796
C -2.160903 -0.954092 -0.456399
C 2.215974 -0.927288 0.507000
C -2.914614 -0.255927 0.728632
C 2.950002 -0.165505 -0.650919
C -1.763086 -2.376646 -0.043712
C -2.970183 -0.943988 -1.773498
C 1.855050 -2.343355 0.040978
C 3.025995 -0.946374 1.823581
C -3.090476 1.255880 0.497365
C 3.090743 1.339932 -0.361100
H -2.291770 -0.382430 1.630783
H 2.327544 -0.271716 -1.556003
H -1.042908 -2.358144 0.793469
H -1.307094 -2.918702 -0.890279
H -2.671404 -2.914338 0.284714
H -2.381893 -1.395529 -2.591568
H -3.878631 -1.559104 -1.633782
H -3.277276 0.073648 -2.067184
H 1.140626 -2.314268 -0.800803
H 1.407326 -2.926277 0.864497
H 2.778369 -2.846943 -0.299507
H 2.449171 -1.441212 2.624641
H 3.948576 -1.534319 1.661782
H 3.308828 0.066917 2.154246
H -4.952803 -0.583441 0.314175
H -4.530489 -0.887973 1.937449
H 4.996963 -0.459591 -0.254343
H 4.576512 -0.710733 -1.887125
H -2.525584 2.980748 1.262596
H 2.478135 3.079522 -1.052711


