%chk=000266689.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000266689

0 1
S -4.330529 0.060774 0.394550
O 2.970942 -1.391325 -2.183793
O 2.115926 -2.444352 -0.406219
O -5.105108 0.876153 -0.524749
O -4.648645 -1.341287 0.592897
N 1.421301 0.770414 -0.773378
N -4.552761 0.792651 1.941492
C 2.569482 0.001037 -0.254565
C 2.566156 -0.136675 1.290846
C 3.901235 0.703870 -0.640897
C 3.994187 0.172192 1.758694
C 4.618466 1.058839 0.669759
C 2.504585 -1.411522 -0.894126
C 0.075215 0.555810 -0.467448
C -0.858505 1.525731 -0.927728
C -0.384937 -0.576961 0.243836
C -2.208481 1.357624 -0.658147
C -1.743462 -0.720050 0.497254
C -2.664731 0.243885 0.063593
H 2.239919 -1.143553 1.616706
H 1.844931 0.572837 1.740331
H 3.733274 1.601447 -1.262570
H 4.528040 0.038559 -1.267563
H 4.573692 -0.761355 1.883055
H 3.998120 0.670451 2.742800
H 4.479572 2.128026 0.912826
H 5.707013 0.898381 0.590379
H 1.658489 1.576242 -1.352095
H -0.522753 2.392644 -1.489167
H 0.303774 -1.356814 0.570345
H 2.905218 -2.281926 -2.628305
H -2.929323 2.101922 -1.020248
H -2.098301 -1.608248 1.035601
H -5.101811 1.647601 1.986912
H -4.818190 0.189879 2.716721


%chk=000266689-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000266689

0 1
S -4.383873 0.094756 0.350059
O 2.129125 -1.265842 -2.333070
O 2.709861 -2.645496 -0.561729
O -5.174757 0.957197 -0.785253
O -4.675422 -1.485471 0.633304
N 1.567665 0.781962 -0.563366
N -4.708124 1.014935 1.925219
C 2.640784 -0.168347 -0.224399
C 2.766071 -0.396389 1.325869
C 4.012514 0.481499 -0.624409
C 4.060434 0.345332 1.783816
C 4.407845 1.307184 0.620017
C 2.489458 -1.497058 -1.002654
C 0.206457 0.583970 -0.344702
C -0.710812 1.595051 -0.774732
C -0.310544 -0.589254 0.288634
C -2.090176 1.456473 -0.565120
C -1.693939 -0.731906 0.502435
C -2.553994 0.294117 0.079912
H 2.811284 -1.473888 1.556120
H 1.876418 0.022142 1.824032
H 3.936459 1.057563 -1.564586
H 4.758950 -0.318080 -0.786926
H 4.884880 -0.378758 1.924616
H 3.918207 0.873588 2.742191
H 3.798219 2.228188 0.681788
H 5.471506 1.602450 0.606275
H 1.822429 1.532033 -1.206929
H -0.328152 2.492551 -1.275074
H 0.355212 -1.397147 0.602547
H 2.054893 -2.134851 -2.813168
H -2.796320 2.219142 -0.907757
H -2.102311 -1.636964 0.963691
H -5.527346 1.622252 1.749205
H -4.880901 0.319967 2.671742


