%chk=000294893.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000294893

0 1
S 0.160364 -1.931067 -1.000992
S 1.646768 -3.257649 -0.544843
O -3.350948 1.582335 1.088042
O 3.818918 0.324708 1.224749
O -1.570633 -0.212386 -2.201694
O 1.882874 -1.658427 -2.773508
O -0.018326 1.255748 -1.533000
O 4.041516 -1.968174 -3.309783
N -2.705305 -0.412694 0.188581
N 2.729626 0.036472 -0.753157
N -6.058984 1.080622 1.046874
N 1.210819 1.570054 1.879893
C -5.563604 -0.227919 -1.000618
C 2.880092 3.233399 0.840314
C -5.145737 0.063991 0.470450
C 2.046184 1.926105 0.699258
C -3.675936 0.514140 0.596245
C 2.952592 0.710925 0.455220
C -4.936250 0.757638 -1.988425
C -5.233496 -1.673558 -1.384554
C 3.694024 3.464613 -0.435878
C 3.781474 3.222620 2.074975
C -1.282898 -0.036741 0.175287
C 3.476472 -1.207429 -1.038687
C -0.392269 -1.212918 0.575408
C 3.132394 -2.351520 -0.083999
C -0.852907 0.436177 -1.226407
C 3.227269 -1.644984 -2.483139
H -6.681310 -0.108338 -1.043126
H 2.146928 4.074215 0.945424
H -5.273921 -0.873905 1.080250
H 1.334499 2.070691 -0.169698
H -3.862340 0.579343 -2.134299
H -5.407199 0.675158 -2.975424
H -5.057525 1.797105 -1.662484
H -4.154467 -1.881202 -1.369343
H -5.725349 -2.393640 -0.720300
H -5.577867 -1.892777 -2.403705
H 4.486646 2.715186 -0.555474
H 3.067093 3.429665 -1.334090
H 4.183895 4.445148 -0.419244
H 3.211524 3.280747 3.006044
H 4.477620 4.068679 2.067704
H 4.392160 2.304971 2.119750
H -1.121091 0.833204 0.892523
H 4.582989 -0.975959 -0.931037
H -2.967791 -1.218214 -0.395593
H 1.898757 0.230646 -1.327413
H -5.779587 1.310639 2.000394
H -6.012851 1.950047 0.517939
H 1.804595 1.373857 2.688142
H 0.618896 2.358895 2.136632
H -0.924420 -1.951378 1.204175
H 0.471150 -0.852265 1.178022
H 3.065186 -1.965330 0.960026
H 3.951316 -3.105988 -0.061276
H -1.295768 0.052103 -3.123071
H 1.704240 -1.953385 -3.714359


%chk=000294893-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000294893

0 1
S 0.034519 -0.947937 -0.931112
S 0.929021 -2.886574 -0.130675
O -4.532293 0.671446 1.417895
O 4.106920 0.449160 1.512827
O -2.562657 1.869607 -1.581679
O 3.568009 -1.888169 -2.633427
O -0.885344 2.773661 -0.268595
O 4.342037 -3.711512 -1.416258
N -2.960390 -0.284980 0.008304
N 3.264278 -0.313852 -0.508455
N -6.206724 -1.630344 1.101346
N 1.784369 2.223349 1.188358
C -6.073967 -0.695812 -1.212377
C 3.833317 3.198729 -0.057824
C -5.275891 -1.233075 0.025923
C 2.801151 2.032615 0.130126
C -4.239170 -0.199342 0.537129
C 3.467684 0.677525 0.434900
C -6.856036 0.601408 -0.903471
C -5.174055 -0.522099 -2.458332
C 4.810551 2.879844 -1.215353
C 4.601201 3.564875 1.233003
C -1.905544 0.628507 0.429895
C 3.625089 -1.698138 -0.207982
C -0.560922 -0.090665 0.678618
C 2.566953 -2.393382 0.693941
C -1.710942 1.856546 -0.481655
C 3.899213 -2.545695 -1.446398
H -6.809452 -1.500006 -1.413327
H 3.222457 4.079559 -0.353023
H -4.737592 -2.142182 -0.310007
H 2.247511 1.940945 -0.826050
H -6.174591 1.434315 -0.652880
H -7.454975 0.899597 -1.783973
H -7.553701 0.463992 -0.058277
H -4.433006 0.285817 -2.319312
H -4.629577 -1.456571 -2.700409
H -5.791393 -0.265372 -3.338861
H 5.470531 2.032072 -0.952628
H 4.271986 2.617190 -2.146382
H 5.455307 3.750761 -1.433163
H 3.913124 3.853426 2.049518
H 5.268514 4.426278 1.044326
H 5.210164 2.715896 1.587135
H -2.239717 1.056368 1.399914
H 4.555935 -1.670604 0.393861
H -2.738202 -0.964757 -0.723651
H 2.669077 -0.143007 -1.321277
H -5.784249 -2.289732 1.766369
H -6.556920 -0.803955 1.604838
H 2.187447 2.362239 2.120058
H 1.038020 2.883093 0.943529
H -0.703117 -0.892806 1.419919
H 0.230346 0.620303 0.990710
H 2.361611 -1.751912 1.564077
H 2.946047 -3.374363 1.036236
H -2.410393 2.703708 -2.105483
H 3.728531 -2.493990 -3.406758


