%chk=000224669.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000224669

0 1
S 3.006710 0.702589 0.853888
O 0.048673 1.058131 1.815912
O 3.322228 -1.359920 -0.797022
N -0.333516 -0.564724 0.249310
N 4.651929 0.461389 -1.217971
C -1.679609 -0.118160 -0.037580
C 0.455095 0.076298 1.218236
C 0.149585 -1.741662 -0.514243
C -1.982854 1.255785 -0.055341
C -2.681583 -1.068479 -0.310605
C 1.826383 -0.486629 1.525062
C -3.281383 1.668042 -0.356263
C -3.973522 -0.634712 -0.615786
C -4.278092 0.729209 -0.643049
C 3.689243 -0.236520 -0.528369
H -0.342512 -1.793656 -1.501348
H -0.053838 -2.679871 0.027436
H 1.238891 -1.679179 -0.716312
H -1.213978 1.993033 0.188845
H -2.466936 -2.133315 -0.272817
H 1.962977 -0.537061 2.629418
H 2.016557 -1.514722 1.146485
H -3.517326 2.732008 -0.365867
H -4.749639 -1.368975 -0.828475
H -5.286624 1.059276 -0.880170
H 4.938530 1.397557 -0.979646
H 5.107411 0.040268 -2.016727


%chk=000224669-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000224669

0 1
S 2.984182 0.846820 0.290007
O -0.124716 1.106030 2.050874
O 3.649383 -1.795935 -0.274208
N -0.369929 -0.314597 0.189050
N 4.999512 -0.147287 -1.225195
C -1.769355 -0.012079 -0.018122
C 0.363637 0.263262 1.236066
C 0.229938 -1.350122 -0.687307
C -2.307729 1.273476 0.261514
C -2.623525 -1.016289 -0.549371
C 1.826632 -0.158043 1.415132
C -3.670194 1.536118 0.007712
C -3.985028 -0.740468 -0.798926
C -4.519031 0.537479 -0.522604
C 3.949109 -0.588629 -0.456785
H -0.232024 -1.286946 -1.685428
H 0.077635 -2.371074 -0.287867
H 1.308677 -1.186072 -0.805748
H -1.669570 2.048634 0.685545
H -2.239066 -2.020388 -0.752949
H 2.104147 0.091970 2.447969
H 2.054739 -1.216122 1.199311
H -4.067926 2.533471 0.226287
H -4.627101 -1.530741 -1.203820
H -5.575960 0.750951 -0.714891
H 5.225709 0.842343 -1.312293
H 5.580653 -0.839762 -1.696952


