%chk=000295713.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000295713

0 1
S 2.235475 -1.982323 0.551536
O -4.194398 0.281944 -0.082686
N 1.888906 1.029954 0.676817
N -0.443456 -1.751987 -0.104562
N 1.958918 2.441606 0.606974
C 0.699435 0.371084 0.337250
C -1.697308 0.333633 -0.221016
C -0.523988 1.055401 0.121199
C 0.670276 -1.059835 0.221365
C -3.009056 1.060735 -0.475016
C -1.612156 -1.074772 -0.327893
C 2.684532 2.970572 -0.570151
C 1.753286 -3.684492 -0.080951
H -0.522509 2.145759 0.218845
H -2.995178 2.047925 0.035118
H -3.163042 1.241575 -1.553775
H -2.485999 -1.674666 -0.598420
H 2.762959 0.488793 0.611712
H 2.274845 2.834464 1.502344
H 2.150058 2.680825 -1.490722
H 3.736952 2.611625 -0.649656
H 2.694639 4.073382 -0.509770
H 1.566765 -3.639520 -1.163302
H 0.843231 -4.012538 0.438659
H 2.608042 -4.339316 0.148758
H -4.081029 -0.014129 0.856342


%chk=000295713-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000295713

0 1
S 2.229537 -1.984722 0.558024
O -4.188685 0.296285 -0.041993
N 1.882846 1.028961 0.677217
N -0.441023 -1.752866 -0.103219
N 1.951576 2.440606 0.608139
C 0.695104 0.369141 0.336650
C -1.695000 0.331293 -0.225323
C -0.526182 1.052734 0.117358
C 0.666133 -1.061769 0.222392
C -3.007122 1.055526 -0.483462
C -1.607334 -1.077436 -0.329425
C 2.682255 2.970639 -0.565341
C 1.754993 -3.683252 -0.090376
H -0.525589 2.143317 0.212884
H -2.980574 2.060535 -0.010148
H -3.180041 1.196845 -1.565217
H -2.480164 -1.679118 -0.598845
H 2.757327 0.488051 0.616642
H 2.262811 2.833728 1.505077
H 2.152404 2.680874 -1.488552
H 3.735350 2.612621 -0.640000
H 2.691163 4.073428 -0.504371
H 1.609454 -3.638695 -1.179078
H 0.822649 -3.999671 0.395966
H 2.593398 -4.346780 0.171950
H -4.055084 0.025424 0.902049


