%chk=000268628.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000268628

0 1
S -1.916525 1.903400 0.181722
S 1.049824 2.385763 -0.114743
O 1.052529 2.894845 -1.721370
O 0.848759 3.594384 0.631085
O 2.264927 1.613727 0.032831
O 3.287492 -3.195739 -0.211630
N 3.956039 -1.012835 -0.067970
N 0.634354 -2.243176 2.547457
C -1.562580 -0.629388 -0.269383
C -0.260038 0.003285 -0.330894
C -0.297543 1.355406 -0.111436
C -2.588010 0.308290 0.003808
C -1.894180 -1.991119 -0.436602
C -3.929067 -0.074524 0.111134
C 0.996510 -0.705192 -0.599397
C -3.222806 -2.371659 -0.329977
C -4.234289 -1.419721 -0.058188
C 1.617164 -1.514209 0.270585
C 3.017158 -2.026447 -0.024101
C 1.074206 -1.914504 1.530452
H -1.110277 -2.721830 -0.640463
H -4.706842 0.657708 0.323404
H 1.460450 -0.460077 -1.570112
H -3.502276 -3.419245 -0.451104
H -5.269526 -1.757132 0.020649
H 1.291787 3.821829 -1.877021
H 3.714779 -0.032253 0.083284
H 4.928880 -1.227186 -0.226719


%chk=000268628-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000268628

0 1
S -2.034783 2.056339 0.140054
S 1.031679 2.582604 -0.133758
O 1.117542 2.737504 -1.986048
O 0.596081 3.994449 0.513408
O 2.406980 1.859190 0.345605
O 3.457962 -3.210527 -0.132258
N 3.905034 -0.911698 -0.153804
N 0.427346 -3.062681 2.098394
C -1.565457 -0.600183 -0.162616
C -0.254708 0.037184 -0.244402
C -0.377729 1.414912 -0.113291
C -2.628266 0.338647 0.042415
C -1.891072 -1.977226 -0.311043
C -3.976834 -0.056684 0.134422
C 1.058097 -0.590298 -0.449962
C -3.233146 -2.379614 -0.222282
C -4.268452 -1.430035 0.005232
C 1.618526 -1.640129 0.233513
C 3.075456 -2.010948 -0.036411
C 0.950557 -2.411501 1.242024
H -1.103089 -2.713609 -0.489935
H -4.776521 0.672354 0.295821
H 1.703593 -0.088980 -1.181194
H -3.486583 -3.439086 -0.326222
H -5.307750 -1.767345 0.075050
H 1.780232 3.456732 -2.206320
H 3.582110 0.037442 0.063050
H 4.894095 -1.074410 -0.344142


