%chk=000229179.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000229179

0 1
S -0.503740 2.216010 0.245084
O -1.224603 3.219532 0.996416
O 0.330479 2.605119 -0.857268
O 4.275954 -1.677206 -0.605311
O 5.025648 -0.922844 1.396087
O -5.432151 -2.055164 -1.038094
O -3.882414 -2.927443 -2.272048
N 0.450539 1.449949 1.485444
N 1.131711 0.359562 1.018958
N -4.302810 -2.088341 -1.494611
C -1.601308 0.965216 -0.261079
C -2.905343 0.954697 0.241833
C -1.171951 -0.008533 -1.165732
C 2.092105 -0.214745 1.690703
C 2.656031 -1.466336 1.061000
C -3.357449 -1.016722 -1.065140
C -3.798583 -0.042695 -0.160228
C -2.054690 -1.013687 -1.576762
C 2.670964 0.204547 3.000998
C 4.110279 -1.292004 0.698712
C 5.613663 -1.569547 -1.196897
C 5.903792 -0.125445 -1.542261
H -3.234778 1.729335 0.947908
H -0.145726 0.007409 -1.556126
H 2.070744 -1.764603 0.155917
H 2.559172 -2.319063 1.771668
H 0.791699 1.975366 2.305527
H -4.825702 -0.068775 0.220780
H -1.738401 -1.786923 -2.285857
H 2.129077 -0.249617 3.842822
H 3.731418 -0.103593 3.093996
H 2.663931 1.292763 3.147308
H 5.496173 -2.218021 -2.084558
H 6.345037 -1.996304 -0.488223
H 6.040677 0.484115 -0.636290
H 5.080791 0.327513 -2.112188
H 6.816166 -0.030522 -2.143089


%chk=000229179-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000229179

0 1
S -0.387668 2.057709 -0.080212
O -1.009809 3.367356 0.655029
O 0.539857 2.159790 -1.410186
O 4.596393 -1.552381 -0.618983
O 5.230844 -1.211663 1.601462
O -5.991192 -1.778921 -0.589401
O -4.689861 -2.795233 -2.163397
N 0.491565 1.130091 1.372843
N 1.213112 0.053578 0.893220
N -4.896433 -1.898804 -1.259952
C -1.768064 0.825005 -0.431872
C -2.961410 0.956547 0.296506
C -1.546135 -0.144740 -1.422717
C 2.203717 -0.444204 1.607691
C 2.866483 -1.691110 1.040480
C -3.794615 -0.937435 -0.969510
C -4.005071 0.050799 0.017512
C -2.590332 -1.051892 -1.697795
C 2.659106 0.114069 2.940182
C 4.348891 -1.457457 0.743525
C 6.006216 -1.295139 -1.068777
C 6.242431 0.204717 -1.260123
H -3.071164 1.750725 1.041404
H -0.596554 -0.176209 -1.964430
H 2.344998 -1.994734 0.121830
H 2.806166 -2.508740 1.785055
H 0.986249 1.873482 1.917404
H -4.962334 0.095806 0.542489
H -2.488398 -1.834885 -2.453176
H 1.889162 -0.055096 3.718596
H 3.602626 -0.355132 3.256654
H 2.832766 1.209154 2.889088
H 6.074522 -1.852517 -2.016031
H 6.694843 -1.723146 -0.319281
H 6.186651 0.738190 -0.296568
H 5.499594 0.635664 -1.952781
H 7.249248 0.369756 -1.686379


