%chk=000279680.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000279680

0 1
S -1.036728 1.131159 0.915441
O -1.764881 1.257279 2.153669
O -0.272560 2.269037 0.394379
O 1.287054 1.381852 2.104618
O 5.430551 0.199412 -2.590719
N -2.156812 0.707957 -0.332854
N -4.468711 0.510979 -2.056255
C 0.044117 -0.282389 0.880782
C -2.483304 1.793186 -1.304952
C -3.391348 0.003125 0.125076
C -3.212368 1.187177 -2.521413
C -4.129138 -0.588889 -1.093660
C 1.440769 0.138594 1.424573
C -0.528265 -1.432986 1.652673
C 2.475964 0.198352 0.327015
C -5.228877 -0.033363 -3.220403
C -0.754485 -2.658250 1.005328
C -0.822162 -1.307366 3.020640
C 3.505995 -0.760131 0.300980
C 2.431994 1.194716 -0.656359
C -1.269026 -3.743828 1.719732
C -1.336411 -2.395760 3.727924
C -1.559693 -3.616011 3.081040
C 4.476254 -0.730375 -0.692492
C 3.397310 1.251293 -1.663999
C 4.412175 0.285503 -1.670373
C 5.494464 1.207514 -3.628986
H 0.175481 -0.598509 -0.192622
H -1.537048 2.281096 -1.634586
H -3.121744 2.583366 -0.846057
H -4.074603 0.685958 0.683214
H -3.106949 -0.818420 0.820502
H -2.528104 0.504963 -3.069964
H -3.496221 2.004096 -3.219243
H -5.078902 -1.053667 -0.751027
H -3.513056 -1.392228 -1.551804
H 1.752891 -0.546611 2.252873
H -6.168657 -0.479731 -2.856416
H -4.694728 -0.787475 -3.816365
H -5.509336 0.800053 -3.884974
H -0.528403 -2.768474 -0.053800
H -0.671160 -0.347591 3.528872
H 1.389083 2.174226 1.501225
H 3.547327 -1.535847 1.067570
H 1.628080 1.944936 -0.637942
H -1.441073 -4.692018 1.213028
H -1.566393 -2.289623 4.787885
H -1.959110 -4.462438 3.636346
H 5.280876 -1.461010 -0.730821
H 3.349827 2.033578 -2.413812
H 4.603508 1.158779 -4.261100
H 6.389558 0.898795 -4.185157
H 5.630379 2.199408 -3.188232


%chk=000279680-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000279680

0 1
S -1.452182 0.410920 1.293727
O -2.800342 0.075695 2.142433
O -0.693406 1.860698 1.574997
O 1.509819 0.616896 2.517098
O 3.208769 0.969433 -3.764784
N -1.905115 0.215043 -0.574609
N -2.988052 0.783227 -3.131692
C -0.012000 -1.135224 1.561088
C -1.273109 1.280329 -1.405483
C -3.386963 0.210934 -0.753602
C -1.534063 0.883601 -2.876178
C -3.634215 -0.190384 -2.224705
C 1.383196 -0.454835 1.533299
C -0.426064 -1.900343 2.763323
C 1.839348 -0.039056 0.126407
C -3.310719 0.551104 -4.551399
C -1.405676 -2.923984 2.624505
C 0.127901 -1.641603 4.050227
C 1.806294 -0.960147 -0.956176
C 2.373180 1.247330 -0.105006
C -1.807210 -3.688717 3.737281
C -0.274876 -2.411232 5.159615
C -1.241296 -3.434565 5.008922
C 2.265454 -0.596617 -2.234188
C 2.838730 1.631654 -1.383650
C 2.780167 0.706656 -2.454551
C 3.786911 2.288827 -4.033978
H -0.261767 -1.642646 0.616222
H -0.189628 1.312537 -1.211248
H -1.708164 2.280320 -1.203442
H -3.837880 1.206951 -0.564624
H -3.837839 -0.521382 -0.064260
H -0.998368 -0.076288 -3.083749
H -1.106752 1.662702 -3.534569
H -4.723893 -0.189639 -2.415186
H -3.254259 -1.231665 -2.381938
H 2.082989 -1.236945 1.897500
H -4.406222 0.576500 -4.692404
H -2.934648 -0.428802 -4.940100
H -2.869529 1.354084 -5.168504
H -1.848409 -3.119346 1.640057
H 0.858829 -0.833458 4.158511
H 0.795961 1.306096 2.303601
H 1.431963 -1.980644 -0.806160
H 2.431768 1.951654 0.729791
H -2.560317 -4.475168 3.619186
H 0.156857 -2.208966 6.145882
H -1.555074 -4.026157 5.876330
H 2.246847 -1.302065 -3.070452
H 3.243401 2.638129 -1.525293
H 3.051886 3.096851 -3.851039
H 4.060470 2.270490 -5.099036
H 4.690693 2.464619 -3.419000


