%chk=000294394.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000294394

0 1
S 4.903118 -0.113784 0.141086
O -4.051925 -1.067928 -1.630980
O -5.055330 0.504591 0.325376
O -3.675220 2.686125 -0.103506
N -1.268850 -1.485594 0.707670
N 0.125733 -1.439754 0.559275
N 2.337237 -2.067983 0.601233
N 0.461027 1.013453 0.046166
N 2.835137 1.580775 -0.136035
C -3.444651 -1.057058 -0.330006
C -1.978110 -1.429172 -0.614976
C -3.625665 0.330840 0.327520
C -2.970478 1.483631 -0.451239
C 0.862617 -0.274676 0.308877
C 2.250763 -0.694787 0.340109
C 1.080235 -2.504845 0.720151
C 3.219232 0.311641 0.108637
C 1.483144 1.875783 -0.160935
C 5.764611 1.428342 -0.200506
H -3.960876 -1.829481 0.287039
H -1.942216 -2.375607 -1.197208
H -1.514632 -0.655818 -1.273190
H -3.299653 0.313121 1.391538
H -1.527222 -2.357755 1.209847
H -1.889551 1.579880 -0.239318
H -3.136655 1.396170 -1.543352
H 0.776297 -3.522044 0.926628
H -4.939922 -0.623111 -1.569058
H -5.273669 1.466899 0.173018
H -3.359940 3.024613 0.761975
H 1.224908 2.926741 -0.374782
H 5.491408 1.844411 -1.180345
H 6.842807 1.223728 -0.190187
H 5.542293 2.199351 0.550577


%chk=000294394-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000294394

0 1
S 4.997375 -0.179794 -0.063000
O -4.221459 -1.281485 -1.551419
O -5.128692 0.579790 0.161355
O -3.528370 2.719627 -0.257894
N -1.263857 -1.387653 0.694693
N 0.135336 -1.378724 0.528358
N 2.304608 -2.107194 0.318534
N 0.518984 1.079736 0.361435
N 2.900712 1.607363 0.083004
C -3.513932 -1.123955 -0.281735
C -2.059281 -1.540968 -0.552520
C -3.675223 0.325484 0.235268
C -2.943708 1.394811 -0.598771
C 0.916131 -0.222497 0.391219
C 2.258730 -0.700617 0.261790
C 1.021785 -2.475030 0.459346
C 3.262944 0.292212 0.105800
C 1.574505 1.931855 0.205809
C 5.783847 1.522447 -0.229258
H -3.965409 -1.795755 0.484763
H -2.054290 -2.574652 -0.959430
H -1.625533 -0.878830 -1.319382
H -3.335145 0.385011 1.289075
H -1.537269 -2.004517 1.469299
H -1.855515 1.381317 -0.406043
H -3.154859 1.262198 -1.672768
H 0.666410 -3.501490 0.536243
H -5.077731 -0.783322 -1.429678
H -5.222058 1.572276 0.109989
H -3.051577 3.090898 0.526145
H 1.339469 2.999561 0.172861
H 5.381706 2.032795 -1.114906
H 6.862816 1.331822 -0.336786
H 5.574553 2.117980 0.669703


