%chk=000252654.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000252654

0 1
S -2.202397 -0.059477 0.134668
O -2.255341 -1.114313 1.121874
O -3.129224 1.055416 0.187493
O 4.149333 0.039645 -0.157655
O 2.954987 -1.848775 -0.261280
N -2.388520 -0.774474 -1.420725
C -0.592468 0.587677 0.065628
C 0.507971 -0.264071 -0.021030
C -0.410597 1.975305 0.107114
C 1.803043 0.280969 -0.070681
C 0.877742 2.517494 0.062615
C 1.986776 1.673676 -0.026419
C -2.746120 -2.212858 -1.451205
C 2.949449 -0.642534 -0.171221
H 0.383010 -1.355334 -0.049046
H -1.283245 2.640347 0.177210
H -2.938800 -0.241849 -2.108108
H 1.015787 3.598396 0.098599
H 3.001645 2.085027 -0.062040
H -2.437498 -2.639702 -2.422053
H -3.823781 -2.403981 -1.315514
H -2.210176 -2.770992 -0.659454
H 4.930124 -0.575792 -0.222669


%chk=000252654-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000252654

0 1
S -2.181632 -0.220105 0.229144
O -2.031607 -1.576220 1.119264
O -3.211392 0.990069 0.607318
O 4.325909 0.136835 -0.056307
O 3.097752 -1.827787 0.126563
N -2.541786 -0.756252 -1.542501
C -0.464554 0.551068 0.065977
C 0.651607 -0.290546 0.100881
C -0.390585 1.949004 -0.048096
C 1.930581 0.314338 0.000445
C 0.893491 2.534378 -0.145044
C 2.047758 1.722946 -0.125778
C -2.991303 -2.169445 -1.642943
C 3.123490 -0.578838 0.032993
H 0.562313 -1.375404 0.219605
H -1.305595 2.550482 -0.036093
H -3.256683 -0.072142 -1.857754
H 0.988220 3.621130 -0.231671
H 3.044531 2.165856 -0.199733
H -2.874355 -2.465878 -2.700958
H -4.034647 -2.349134 -1.318875
H -2.326464 -2.801230 -1.031137
H 5.086652 -0.503326 -0.029198


