%chk=000267948.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000267948

0 1
S 2.557891 -0.321267 -0.823711
S 3.939170 -1.741402 1.490972
O 5.125908 -0.810654 -0.522379
O 0.106542 0.347818 -1.487355
O -6.014416 0.352148 -0.044016
O -4.746490 1.055098 -1.651551
N -4.930113 0.503175 -0.581568
C -1.352636 -0.389592 0.231106
C -2.473242 0.117100 -0.445981
C -0.019111 -0.210554 -0.418495
C -1.517976 -1.032748 1.467288
C -3.742522 -0.029106 0.127259
C 1.193272 -0.746713 0.291505
C -2.792139 -1.171892 2.028555
C -3.912907 -0.672356 1.364796
C 5.263611 -0.125189 -1.831166
C 3.950887 -0.969682 0.052230
C 6.754981 -0.186221 -2.072489
H -2.352502 0.623814 -1.417619
H -0.654770 -1.432437 2.006330
H 1.143726 -1.844555 0.462032
H 1.341541 -0.293033 1.295978
H -2.910664 -1.673879 2.990905
H -4.918448 -0.773723 1.791996
H 4.681355 -0.693252 -2.577592
H 4.885831 0.906038 -1.718354
H 7.024740 0.289215 -3.023960
H 7.315289 0.318236 -1.271002
H 7.118295 -1.224585 -2.097814


%chk=000267948-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000267948

0 1
S 2.621539 -0.232406 -1.024710
S 3.673480 -1.710141 1.557084
O 5.200457 -0.852120 -0.436621
O -0.129154 0.487528 -1.714473
O -6.207863 0.237924 0.236067
O -5.018005 1.044371 -1.534982
N -5.103609 0.439930 -0.400565
C -1.432245 -0.337782 0.141352
C -2.628307 0.140430 -0.451277
C -0.141718 -0.105838 -0.601088
C -1.490668 -1.007711 1.393637
C -3.844921 -0.062425 0.220437
C 1.135803 -0.618376 0.053666
C -2.727707 -1.198727 2.047603
C -3.921582 -0.726279 1.465700
C 5.474603 -0.189208 -1.761430
C 3.929721 -0.961904 0.068909
C 6.981295 -0.270057 -1.970308
H -2.592950 0.657065 -1.414892
H -0.577169 -1.383652 1.865767
H 1.104409 -1.710729 0.214399
H 1.304541 -0.156529 1.042960
H -2.761848 -1.715922 3.011248
H -4.894563 -0.858267 1.946192
H 4.912958 -0.733265 -2.543936
H 5.114071 0.855160 -1.706823
H 7.247294 0.203837 -2.932536
H 7.518402 0.254379 -1.162666
H 7.318837 -1.319484 -1.992813


