%chk=000244698.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000244698

0 1
S 3.502394 -1.337108 -0.008729
O -4.936455 0.869013 0.140990
O -3.259732 1.880697 2.283949
O -3.938881 -1.151339 -1.419594
O 2.690015 -1.985879 -1.009016
O 4.648535 -2.017591 0.552996
O 0.318155 -2.519357 1.737608
N 2.551661 -0.955229 1.431143
N 1.251893 -0.526611 1.078816
C -1.178943 -0.758790 1.014009
C 3.946672 0.237751 -0.564604
C -3.668583 0.356042 0.358642
C -2.919479 0.859603 1.441941
C -3.140062 -0.734111 -0.385097
C -1.664367 0.297641 1.774073
C -1.893340 -1.285828 -0.067463
C 0.143441 -1.383581 1.351296
C 3.222502 0.839324 -1.599068
C 5.033355 0.900069 0.014315
C 3.581128 2.112303 -2.050905
C 5.392966 2.173850 -0.437427
C 4.665766 2.778383 -1.468343
C -5.180539 1.339889 -1.213340
C -4.547439 2.530813 2.108574
C -3.489118 -2.288868 -2.203220
H -1.127178 0.696908 2.631805
H -1.480412 -2.122319 -0.628698
H 2.535861 -1.704197 2.161430
H 1.142855 0.488377 1.219353
H 2.380633 0.310200 -2.060656
H 5.608649 0.421548 0.814822
H 3.020521 2.582395 -2.857362
H 6.239734 2.691356 0.011327
H 4.946613 3.771585 -1.821572
H -6.187885 1.760489 -1.125316
H -4.446150 2.097106 -1.492632
H -5.167109 0.491587 -1.909519
H -4.568484 3.211767 2.967057
H -4.564221 3.067645 1.156501
H -5.355274 1.790254 2.153689
H -3.388272 -3.172944 -1.565449
H -2.555785 -2.049444 -2.720840
H -4.319145 -2.408698 -2.911285


%chk=000244698-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000244698

0 1
S 3.071657 -0.453671 -0.668435
O -5.366578 0.708842 -0.241754
O -3.511974 2.483918 0.968656
O -4.609210 -1.958499 -0.743632
O 1.788506 0.289616 -1.395026
O 3.708617 -1.847297 -1.261119
O 0.285338 -2.269343 1.029158
N 2.250057 -0.371103 1.446772
N 0.939637 -0.060413 1.239450
C -1.434983 -0.566437 0.708184
C 4.480331 0.808085 -0.646003
C -4.083484 0.243040 0.057665
C -3.185819 1.146923 0.700148
C -3.650505 -1.101801 -0.186656
C -1.869498 0.745345 1.012276
C -2.337050 -1.494817 0.130307
C -0.062979 -1.052794 0.985085
C 4.156417 2.173911 -0.694150
C 5.796321 0.319694 -0.594887
C 5.221835 3.103840 -0.681791
C 6.848469 1.265211 -0.582224
C 6.560868 2.650023 -0.619546
C -5.884821 0.498253 -1.615677
C -4.733498 2.747476 1.764430
C -4.209436 -3.351040 -0.990621
H -1.237191 1.484852 1.513287
H -1.973989 -2.508991 -0.055364
H 2.267335 -1.411016 1.623248
H 0.754525 0.923570 1.032981
H 3.112693 2.494065 -0.774026
H 5.986362 -0.758492 -0.591633
H 5.005263 4.176426 -0.725973
H 7.886714 0.918846 -0.546717
H 7.381006 3.376174 -0.609675
H -6.849009 1.027842 -1.632142
H -5.192665 0.946832 -2.351775
H -6.019875 -0.575028 -1.818848
H -4.786905 3.843719 1.841994
H -5.625830 2.345610 1.259188
H -4.630800 2.302870 2.772975
H -3.915020 -3.850414 -0.048739
H -3.378885 -3.404880 -1.719181
H -5.105452 -3.834244 -1.406010


