%chk=000290282.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000290282

0 1
S 1.986199 -0.369546 -0.963639
O 0.028570 0.955003 1.131843
O -2.431347 -2.326982 -1.011548
O -2.114794 1.257447 -1.826343
N -1.495502 -0.511712 0.132432
N 2.814195 1.894945 0.921119
C 0.791990 -1.166503 0.152961
C -0.013506 -2.230350 -0.591523
C -0.199276 -0.076077 0.548449
C -1.463898 -1.769543 -0.569667
C -2.678488 0.302761 0.240242
C -3.008928 1.233181 -0.785118
C 3.439280 -0.280884 -0.015849
C -3.513198 0.181623 1.354843
C -4.159667 2.023434 -0.679278
C 3.700631 0.835076 0.814529
C -4.662812 0.973806 1.455773
C 4.393664 -1.298276 -0.161228
C -4.978979 1.884709 0.445711
C 4.947145 0.890432 1.508777
C 5.604534 -1.229615 0.515429
C 5.872302 -0.125531 1.349571
C -2.366043 2.183279 -2.913334
H 1.302389 -1.577858 1.053090
H 0.081992 -3.232366 -0.128458
H 0.316896 -2.372307 -1.644697
H -3.266178 -0.531024 2.142751
H -4.423181 2.736213 -1.454219
H -5.309303 0.875177 2.325115
H 4.180948 -2.149074 -0.812824
H -5.876570 2.498379 0.530543
H 5.166983 1.738732 2.150291
H 6.345686 -2.014926 0.404375
H 6.826330 -0.077517 1.877718
H 2.933979 2.555789 1.671787
H 1.847553 1.786637 0.614704
H -2.352084 3.213436 -2.546600
H -3.306068 1.934533 -3.413800
H -1.505941 1.987296 -3.568426


%chk=000290282-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000290282

0 1
S 2.000915 -0.477559 -1.113133
O -0.125923 1.293135 0.695153
O -2.531065 -2.630977 -0.251559
O -2.007608 1.376260 -1.729041
N -1.608041 -0.490278 0.206463
N 2.808711 1.680408 1.042605
C 0.723971 -1.004945 0.233233
C -0.060912 -2.284578 -0.113459
C -0.332577 0.088885 0.407091
C -1.540766 -1.892581 -0.071786
C -2.830391 0.268099 0.215771
C -3.025679 1.264751 -0.783562
C 3.556368 -0.357931 -0.137324
C -3.826159 0.019743 1.178036
C -4.211309 2.037673 -0.770313
C 3.779822 0.732629 0.770070
C -5.019034 0.776829 1.177188
C 4.568241 -1.316857 -0.376435
C -5.198909 1.788641 0.209127
C 5.062286 0.808392 1.404113
C 5.826947 -1.221168 0.254154
C 6.061630 -0.145241 1.146821
C -2.100405 2.456996 -2.715031
H 1.318934 -1.090883 1.156519
H 0.126826 -3.112131 0.591416
H 0.173541 -2.660482 -1.124350
H -3.660819 -0.765007 1.922698
H -4.375450 2.818426 -1.518598
H -5.792086 0.581523 1.926408
H 4.357861 -2.135939 -1.072676
H -6.115792 2.388271 0.208080
H 5.257651 1.635096 2.098642
H 6.604061 -1.965293 0.054900
H 7.032550 -0.051761 1.647261
H 3.015769 2.430410 1.697563
H 1.846908 1.611856 0.686983
H -2.140574 3.444567 -2.217945
H -2.983981 2.326163 -3.368984
H -1.180008 2.376657 -3.310600


