%chk=000257547.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000257547

0 1
S -0.159439 1.957319 0.393389
O -0.068512 3.008572 -0.609528
O -0.080490 2.305305 1.792039
O 1.768105 -0.913065 3.029866
O -0.090089 -0.168928 2.190271
O 5.410135 -0.865572 -2.039682
O 5.257448 -2.021354 -0.213141
N 1.105656 -0.396961 2.153769
N 4.871771 -1.169069 -0.990823
C -5.017411 -1.381190 -0.937492
C -3.797233 -0.550157 -0.585097
C -1.523363 0.983139 0.028636
C 1.281911 0.937832 0.028034
C -2.990336 -0.029683 -1.614608
C -3.460522 -0.284406 0.750453
C -1.868433 0.736190 -1.307544
C -2.334160 0.482192 1.054574
C -6.291135 -0.686119 -0.443739
C -4.884714 -2.793965 -0.358150
C 1.801183 -0.039086 0.879718
C 1.953788 1.226066 -1.159121
C 2.978976 -0.731971 0.574021
C 3.125411 0.540078 -1.505055
C 3.624716 -0.434461 -0.632883
H -5.087564 -1.473315 -2.053596
H -3.247884 -0.217456 -2.655946
H -4.080521 -0.675366 1.556968
H -1.264675 1.155827 -2.117938
H -2.084936 0.690528 2.106208
H -6.372104 0.332161 -0.842433
H -7.186383 -1.235547 -0.757348
H -6.323330 -0.612043 0.649419
H -4.868568 -2.790348 0.737962
H -5.725688 -3.426053 -0.666568
H -3.963303 -3.281499 -0.697011
H 1.576335 2.019967 -1.826629
H 3.393005 -1.486286 1.263305
H 3.654455 0.764021 -2.440901


%chk=000257547-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000257547

0 1
S -0.146732 1.880916 0.244963
O -0.043610 2.919950 -1.018548
O -0.158583 2.443570 1.769872
O 2.015876 -1.256319 2.961761
O 0.065592 -0.443999 2.098433
O 5.963952 -0.475929 -1.896542
O 5.814986 -1.737677 0.000552
N 1.336637 -0.642841 2.058895
N 5.353838 -0.871005 -0.832834
C -5.320965 -1.360244 -0.893240
C -4.032436 -0.588525 -0.603616
C -1.671990 0.817245 -0.082441
C 1.500470 0.810951 -0.021291
C -3.207566 -0.140161 -1.667940
C -3.641674 -0.294398 0.731383
C -2.018209 0.582017 -1.421500
C -2.453232 0.410672 1.010485
C -6.568694 -0.597650 -0.371975
C -5.263107 -2.796887 -0.306953
C 2.058223 -0.141859 0.858686
C 2.213255 1.223429 -1.159254
C 3.331170 -0.692613 0.608988
C 3.477884 0.668658 -1.443355
C 4.013673 -0.280373 -0.548748
H -5.418374 -1.450205 -1.993645
H -3.504126 -0.343843 -2.703249
H -4.268751 -0.620006 1.568428
H -1.406316 0.972521 -2.240639
H -2.146840 0.648353 2.032506
H -6.630607 0.416586 -0.805145
H -7.490974 -1.145545 -0.638032
H -6.544370 -0.495231 0.728702
H -5.181989 -2.774925 0.795530
H -6.181786 -3.354323 -0.565948
H -4.395839 -3.357484 -0.699351
H 1.767366 2.001826 -1.790807
H 3.766260 -1.423489 1.296073
H 4.049688 0.964135 -2.326803


