%chk=000217437.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000217437

0 1
S 6.989067 0.969730 -0.004422
S 8.486657 -0.259637 -0.695147
O -8.082044 -1.186177 -0.519473
O 8.826041 -1.057056 0.735920
O 7.925990 -1.219961 -1.582622
O 9.651431 0.510262 -0.979060
N 1.855179 0.858870 0.202892
C -0.600775 1.122671 0.289160
C -1.956222 0.427406 0.121280
C 0.554719 0.122983 0.120155
C -3.118727 1.420984 0.277902
C 3.021899 -0.073251 0.138343
C 4.314339 0.766889 0.127016
C -4.442053 0.726146 0.111575
C 5.528084 -0.135669 -0.023518
C -4.998926 0.567500 -1.173134
C -5.125677 0.223270 1.224188
C -6.217255 -0.076849 -1.344367
C -6.355482 -0.429946 1.080256
C -6.887168 -0.571715 -0.205206
C -8.866674 -1.730936 0.567362
H -0.492770 1.938429 -0.455396
H -0.544432 1.613184 1.279443
H -2.016169 -0.058518 -0.872691
H -2.064279 -0.389555 0.861049
H 0.497749 -0.352555 -0.885017
H 0.466741 -0.695518 0.866784
H -3.062699 1.917840 1.267323
H -3.018635 2.240834 -0.462579
H 3.045882 -0.808323 0.971503
H 2.945931 -0.659542 -0.805398
H 1.892732 1.399454 1.074184
H 4.378929 1.372674 1.054180
H 4.255071 1.503180 -0.706415
H 5.608958 -0.864980 0.806397
H 5.498290 -0.713798 -0.971753
H -4.467681 0.954333 -2.042810
H -4.700717 0.337807 2.220928
H -6.664131 -0.207793 -2.326932
H -6.870421 -0.810586 1.954789
H -9.734334 -2.140983 0.034093
H -9.169653 -0.935558 1.254103
H -8.311394 -2.522527 1.078202
H 9.757533 -1.091912 1.013513


%chk=000217437-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000217437

0 1
S 5.831284 -0.186989 -1.874028
S 8.146164 -0.963386 -1.368769
O -7.813852 -0.645165 -1.566740
O 9.009768 0.550300 -2.038849
O 8.297884 -0.985986 0.245760
O 8.722447 -2.223615 -2.210752
N 1.924327 0.868325 1.540720
C -0.560064 1.000355 1.436198
C -1.838942 0.499553 0.729864
C 0.720872 0.363622 0.858724
C -3.129550 1.157033 1.292218
C 3.195876 0.179975 1.364855
C 3.838270 0.350523 -0.062429
C -4.389194 0.681192 0.582890
C 5.178181 -0.420978 -0.131902
C -4.726636 1.176053 -0.707396
C -5.242289 -0.288403 1.159811
C -5.865013 0.719181 -1.394275
C -6.393396 -0.763713 0.487190
C -6.703416 -0.256962 -0.798057
C -8.714151 -1.646682 -0.992584
H -0.498321 2.105438 1.336887
H -0.609451 0.781702 2.520469
H -1.773160 0.705596 -0.357691
H -1.920909 -0.600997 0.833732
H 0.746203 0.541671 -0.243605
H 0.689316 -0.734893 1.000438
H -3.198486 0.936966 2.375487
H -3.032162 2.257723 1.197425
H 3.916874 0.552766 2.117184
H 3.042913 -0.899412 1.557101
H 1.983152 1.890938 1.596345
H 4.009816 1.425533 -0.260229
H 3.130908 -0.027302 -0.825184
H 5.916968 -0.012011 0.577856
H 5.032538 -1.495704 0.062564
H -4.090496 1.937091 -1.176935
H -5.010210 -0.682625 2.157203
H -6.129638 1.101794 -2.384875
H -7.029848 -1.511865 0.969394
H -9.495171 -1.800479 -1.751615
H -9.174336 -1.284015 -0.052422
H -8.186670 -2.601970 -0.801656
H 9.924502 0.250925 -2.323722


