%chk=000201534.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000201534

0 1
S -3.986124 0.519817 1.145880
O -6.560938 0.773639 -0.652625
O -6.780079 -1.268004 0.252244
O -1.789219 -2.654619 0.091717
O -1.880654 -0.970036 -1.382898
C 2.667588 0.813291 -0.344592
C 1.465737 1.212288 0.522448
C 3.915684 0.554690 0.510024
C 0.215136 1.453235 -0.332464
C 5.116605 0.154343 -0.357612
C -0.994019 1.831521 0.533968
C 6.364426 -0.106502 0.496899
C -2.238052 2.064073 -0.335525
C 7.564868 -0.506959 -0.370958
C -3.521204 2.146324 0.474869
C 8.813889 -0.768424 0.482588
C 10.011934 -1.167476 -0.376262
C -4.552028 -0.385974 -0.329980
C -3.935693 -1.774261 -0.298475
C -6.047633 -0.414513 -0.181803
C -2.469607 -1.695993 -0.616177
H 2.876897 1.608943 -1.085524
H 2.421854 -0.089335 -0.936483
H 1.263615 0.423459 1.272211
H 1.707088 2.123499 1.102976
H 4.162221 1.459185 1.098930
H 3.706311 -0.239369 1.252267
H -0.025192 0.542405 -0.921936
H 0.413427 2.247582 -1.076560
H 5.327532 0.949912 -1.098095
H 4.869937 -0.748582 -0.948660
H -0.771786 2.736864 1.128937
H -1.185825 1.025115 1.269677
H 6.611572 0.796948 1.087085
H 6.153686 -0.901672 1.237696
H -2.111438 3.001056 -0.917349
H -2.307344 1.258452 -1.102268
H 7.319344 -1.409977 -0.962120
H 7.777125 0.287526 -1.111922
H -3.409027 2.811765 1.356139
H -4.356828 2.556621 -0.125563
H 9.062040 0.135328 1.072868
H 8.603539 -1.564646 1.223208
H 9.813093 -2.082095 -0.946288
H 10.898014 -1.351855 0.241255
H 10.271287 -0.383162 -1.096414
H -4.260211 0.156617 -1.270880
H -4.101380 -2.279290 0.687049
H -4.433832 -2.451916 -1.033106
H -7.547671 0.837282 -0.533861
H -0.808165 -2.640321 -0.082933


%chk=000201534-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000201534

0 1
S -4.077016 0.528120 1.289844
O -6.476774 1.137033 -0.880300
O -7.145625 -0.921016 -0.025626
O -2.529865 -3.358119 0.170016
O -2.184733 -1.460337 -1.119010
C 2.785989 0.892268 -0.357178
C 1.530459 1.176623 0.497672
C 4.041070 0.572336 0.485922
C 0.272747 1.486772 -0.344758
C 5.291431 0.261221 -0.367361
C -0.987922 1.729421 0.514324
C 6.545093 -0.060855 0.477334
C -2.236914 2.047920 -0.335204
C 7.791433 -0.390904 -0.374851
C -3.537356 2.163719 0.476700
C 9.045160 -0.710473 0.471526
C 10.283036 -1.048885 -0.387320
C -4.736671 -0.397983 -0.254409
C -4.410952 -1.890257 -0.120326
C -6.224958 -0.141204 -0.355356
C -2.947602 -2.160806 -0.416370
H 2.994247 1.768042 -1.007120
H 2.576864 0.042551 -1.040451
H 1.325456 0.300175 1.147851
H 1.736816 2.027550 1.180625
H 4.259613 1.428624 1.158075
H 3.825753 -0.293131 1.147490
H 0.074943 0.641645 -1.035656
H 0.468422 2.375900 -0.980896
H 5.508095 1.125336 -1.029982
H 5.072003 -0.595905 -1.038217
H -0.801169 2.560321 1.227487
H -1.192842 0.825847 1.122990
H 6.771966 0.800809 1.139838
H 6.323678 -0.917454 1.148320
H -2.087120 3.009695 -0.870882
H -2.346497 1.269928 -1.116607
H 7.566403 -1.254969 -1.034897
H 8.013704 0.463518 -1.048201
H -3.425019 2.854076 1.332542
H -4.393247 2.497527 -0.134244
H 9.272663 0.156074 1.125680
H 8.819536 -1.559480 1.148961
H 10.093434 -1.934179 -1.023497
H 11.166683 -1.266917 0.240597
H 10.542838 -0.206403 -1.056064
H -4.213094 0.040287 -1.119608
H -4.670608 -2.282180 0.876455
H -5.015391 -2.475674 -0.842180
H -7.458580 1.301186 -0.880855
H -1.579076 -3.530590 -0.071219


