%chk=000250752.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000250752

0 1
S -2.160499 -1.515176 -0.177672
O -2.428239 -1.575500 -1.593115
O -2.435440 -2.643123 0.675766
O 0.383878 -2.988667 -0.137923
O 3.155448 0.580491 0.740384
O -3.558558 2.127496 0.053776
N 0.909729 0.998002 0.458542
N 1.792465 -1.262248 0.357121
N -1.426999 1.448663 0.183958
C -0.607013 -0.842525 0.104287
C -0.384279 0.512166 0.243625
C -3.248373 -0.225436 0.469811
C 1.217250 2.461405 0.563027
C 0.470540 -1.803951 0.084663
C 2.063798 0.098681 0.524238
C -2.854213 1.161029 0.208172
C 1.295692 3.117440 -0.822759
C 2.969754 -2.200054 0.341411
C 1.411063 4.631308 -0.693071
C 3.630180 -2.230463 -1.029211
H -3.401485 -0.389739 1.564051
H -4.280653 -0.399467 0.069842
H 2.203090 2.568702 1.089005
H 0.469570 2.955063 1.220126
H -1.196419 2.453776 0.088438
H 2.174647 2.717159 -1.373379
H 0.420055 2.854743 -1.448003
H 3.689835 -1.871200 1.125221
H 2.590858 -3.213612 0.621199
H 2.299974 4.927104 -0.120837
H 1.499688 5.102915 -1.681476
H 0.537959 5.076923 -0.202833
H 2.927763 -2.544425 -1.813865
H 4.033837 -1.250457 -1.314224
H 4.465099 -2.943221 -1.042097


%chk=000250752-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000250752

0 1
S -2.287186 -1.620455 -0.245396
O -2.568900 -1.535345 -1.847690
O -2.606044 -2.966393 0.606292
O 0.451933 -3.089237 -0.049276
O 3.178401 0.670752 0.586023
O -3.640516 2.111840 -0.104785
N 0.866104 0.995156 0.377413
N 1.816755 -1.218844 0.344293
N -1.453364 1.395098 0.072586
C -0.578350 -0.913409 0.120361
C -0.409057 0.462622 0.188651
C -3.288722 -0.185299 0.634008
C 1.110282 2.460912 0.528111
C 0.537022 -1.844789 0.128123
C 2.035693 0.158047 0.441789
C -2.847789 1.175068 0.164160
C 1.259699 3.205317 -0.820600
C 3.015243 -2.110325 0.379125
C 1.554521 4.702782 -0.590416
C 3.628577 -2.305962 -1.020157
H -3.073159 -0.365527 1.699714
H -4.344228 -0.370542 0.392889
H 2.056560 2.550926 1.085583
H 0.307831 2.894435 1.153852
H -1.216580 2.351085 -0.211984
H 2.087763 2.738584 -1.384358
H 0.351668 3.095550 -1.448527
H 3.742902 -1.649133 1.066069
H 2.671878 -3.074245 0.787747
H 2.484769 4.837526 -0.009067
H 1.680178 5.228147 -1.552640
H 0.734109 5.200712 -0.040333
H 2.896923 -2.761562 -1.708379
H 3.977014 -1.346309 -1.438875
H 4.498072 -2.983381 -0.948107


