%chk=000250756.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000250756

0 1
S 1.963723 0.492401 -1.173714
O 1.992094 0.190279 -2.584927
O 2.258021 1.899366 -0.811975
O -3.281356 -0.959860 0.743476
O 0.929126 -2.204527 -0.633129
O 2.469808 0.221116 1.683624
O 4.678646 -0.082723 1.474027
N -1.724224 0.698599 0.396120
N -1.187181 -1.637907 0.011833
N -0.115100 2.414223 -0.022388
C 0.457598 0.104743 -0.478439
C -0.438962 1.088693 -0.041159
C -2.763781 1.702075 0.793122
C -2.148288 -0.689894 0.401334
C 0.152708 -1.292710 -0.393481
C -3.423449 2.342317 -0.436601
C -1.566533 -3.089068 0.119201
C 3.208379 -0.514726 -0.415894
C -4.367324 3.463037 -0.017605
C -1.454153 -3.583090 1.554711
C 3.593276 -0.118148 0.951277
H -3.540135 1.171763 1.404872
H -2.310395 2.460183 1.466286
H -2.666683 2.726443 -1.147833
H -3.984716 1.566469 -1.001345
H -2.607361 -3.205730 -0.261239
H -0.884441 -3.663765 -0.553795
H 4.119849 -0.556849 -1.065262
H 2.880461 -1.598970 -0.418076
H -0.760318 3.130376 0.275242
H 0.873499 2.726180 -0.261898
H -5.164050 3.100049 0.644618
H -3.847076 4.274250 0.503481
H -4.860806 3.906087 -0.893286
H -0.438079 -3.459926 1.951414
H -2.141802 -3.050025 2.224958
H -1.700310 -4.650773 1.618066
H 2.693536 0.509542 2.608786


%chk=000250756-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000250756

0 1
S 2.071982 0.474039 -1.214893
O 2.151093 0.073645 -2.786895
O 2.399764 2.048618 -0.793512
O -3.356730 -0.918801 0.773090
O 0.882024 -2.279382 -0.687070
O 2.609642 -0.070726 1.887866
O 4.874950 0.249726 1.447840
N -1.749910 0.730146 0.338735
N -1.250080 -1.605148 0.024554
N -0.137182 2.420606 -0.124554
C 0.412392 0.074287 -0.484502
C -0.473540 1.102150 -0.097796
C -2.754233 1.752086 0.747664
C -2.186246 -0.633575 0.395135
C 0.086025 -1.324385 -0.406884
C -3.497657 2.390355 -0.449069
C -1.663311 -3.035551 0.127176
C 3.401711 -0.645468 -0.293467
C -4.512832 3.449143 0.030495
C -1.426293 -3.601842 1.539598
C 3.742607 -0.106442 1.064348
H -3.482850 1.224292 1.384024
H -2.255921 2.514774 1.376603
H -2.782319 2.846465 -1.160906
H -4.022819 1.587481 -0.998167
H -2.731461 -3.085440 -0.138717
H -1.065513 -3.584650 -0.617368
H 4.256746 -0.599325 -0.981920
H 2.891164 -1.623975 -0.286430
H -0.807441 3.155211 0.081936
H 0.856903 2.636091 -0.381328
H -5.265185 3.001877 0.705776
H -4.016157 4.273992 0.576394
H -5.051495 3.891006 -0.825651
H -0.359024 -3.538560 1.812358
H -2.026597 -3.057984 2.289013
H -1.725065 -4.665137 1.567133
H 2.857059 0.309902 2.773792


