%chk=000284293.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000284293

0 1
S -2.021775 2.097407 0.982936
O -1.472546 0.494665 0.962335
O 0.014735 -1.207782 -0.962830
O -2.943539 2.193518 2.080804
O -2.469313 2.385957 -0.355981
O 4.570282 1.423034 0.695680
C -2.072373 -0.429538 0.025711
C -1.057335 -1.593677 -0.045860
C -3.425680 -0.871487 0.594742
C -1.633162 -2.828093 -0.750464
C -3.974025 -2.088621 -0.154602
C -2.970276 -3.248099 -0.135690
C 1.123522 -0.545227 -0.475815
C -0.524275 2.884586 1.345998
C 1.338364 -0.188114 0.863729
C 2.067324 -0.253218 -1.479222
C 2.518081 0.466198 1.208937
C 3.246127 0.405109 -1.135875
C 3.460244 0.757522 0.205218
C 5.641074 1.712842 -0.231920
H -2.166100 0.071836 -0.966629
H -0.642690 -1.824772 0.956736
H -4.152437 -0.035602 0.545730
H -3.315414 -1.097189 1.675617
H -0.899579 -3.655919 -0.701693
H -1.752498 -2.607099 -1.832236
H -4.214622 -1.811907 -1.200289
H -4.930932 -2.407185 0.301945
H -2.817500 -3.599258 0.903668
H -3.380086 -4.113552 -0.691137
H -0.481757 3.305881 2.362761
H 0.350051 2.205940 1.274411
H -0.288334 3.714400 0.660289
H 0.585987 -0.409939 1.622717
H 1.862056 -0.544979 -2.507820
H 2.728868 0.746702 2.238943
H 3.978013 0.633836 -1.904852
H 5.294826 2.395757 -1.012643
H 6.046670 0.786849 -0.649436
H 6.375923 2.202718 0.420387


%chk=000284293-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000284293

0 1
S -2.101893 2.295871 0.721016
O -1.552455 0.516505 1.084216
O -0.099384 -0.923015 -1.002637
O -2.870714 2.906027 2.004334
O -2.809673 2.313428 -0.741091
O 4.752870 1.194948 0.968973
C -2.214635 -0.497630 0.240398
C -1.133037 -1.536580 -0.150888
C -3.388879 -1.147915 0.996097
C -1.773249 -2.662880 -0.989653
C -4.019453 -2.289503 0.162605
C -2.949137 -3.331266 -0.239711
C 1.086618 -0.403640 -0.441300
C -0.347294 3.010605 0.619188
C 1.376647 -0.315279 0.945629
C 2.036693 0.055001 -1.383046
C 2.609640 0.219196 1.368550
C 3.269338 0.597849 -0.959319
C 3.561351 0.677475 0.425894
C 5.770860 1.661373 0.027433
H -2.572474 -0.012832 -0.693747
H -0.676398 -1.964398 0.764244
H -4.140012 -0.370920 1.229443
H -3.019151 -1.543696 1.962531
H -0.989593 -3.400332 -1.241455
H -2.129632 -2.227141 -1.943262
H -4.484879 -1.868238 -0.751433
H -4.829644 -2.770716 0.741535
H -2.570120 -3.840324 0.670191
H -3.395295 -4.114611 -0.880520
H 0.122470 2.782852 1.584760
H 0.144381 2.482216 -0.207735
H -0.465190 4.089101 0.442842
H 0.644910 -0.619589 1.697017
H 1.798179 -0.025590 -2.448129
H 2.849961 0.292760 2.433751
H 3.984741 0.942860 -1.711728
H 5.396947 2.501021 -0.591705
H 6.116820 0.841889 -0.632955
H 6.605665 2.008621 0.653966


