%chk=000294896.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000294896

0 1
S 2.249356 -1.757619 0.355172
O 2.208241 4.344995 0.571170
O 0.159564 0.211892 0.936130
O 2.913816 3.332967 -1.380804
O 0.123170 -0.241956 -1.312943
O -4.996998 -1.684108 3.896035
O -5.187656 -2.890001 2.111279
N 2.014521 2.125315 0.387136
N -4.612013 -2.061842 2.799936
C 2.548465 5.743849 0.126959
C 2.108151 0.828775 -0.291692
C 1.712052 6.063010 -1.099969
C 2.114908 6.510511 1.370905
C 4.044849 5.804669 -0.127820
C 3.059110 -0.137299 0.419497
C 2.430771 3.293132 -0.265370
C 0.713772 0.161116 -0.352364
C 2.733265 -2.427809 -1.272769
C 1.759176 -3.537902 -1.500606
C -1.040216 -0.384473 1.286028
C 0.515021 -3.268279 -2.094189
C 2.080085 -4.850377 -1.119897
C -1.505817 0.036705 2.548725
C -1.715218 -1.337436 0.512009
C -0.394619 -4.305761 -2.308901
C 1.163949 -5.883244 -1.337007
C -0.072540 -5.613989 -1.931897
C -2.678610 -0.518617 3.040852
C -2.890286 -1.887335 1.015762
C -3.369073 -1.478068 2.273482
H 2.439610 0.996885 -1.364609
H 0.644677 5.880709 -0.925825
H 1.824891 7.109332 -1.404195
H 2.006505 5.439863 -1.961147
H 2.665954 6.178980 2.260617
H 1.048990 6.357518 1.585931
H 2.283209 7.586345 1.251023
H 4.330602 5.178640 -0.989795
H 4.374696 6.826235 -0.346454
H 4.620924 5.445621 0.733031
H 4.068250 -0.131485 -0.027073
H 3.198573 0.117628 1.491830
H 1.611379 2.157932 1.322947
H 2.669469 -1.652180 -2.060324
H 3.782444 -2.777609 -1.248934
H 0.255961 -2.245838 -2.382923
H 3.038848 -5.067248 -0.652205
H -0.944825 0.778769 3.114569
H -1.327791 -1.644766 -0.465118
H -1.357325 -4.094751 -2.772778
H 1.414798 -6.900636 -1.040211
H -0.783831 -6.420641 -2.100464
H -3.076591 -0.220614 4.018322
H -3.447013 -2.638507 0.442136


%chk=000294896-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000294896

0 1
S 2.219632 -2.028035 0.535321
O 2.309347 4.333585 0.536162
O -0.243089 0.396500 1.405574
O 2.900649 2.987269 -1.332915
O -0.409903 -0.176623 -0.873705
O -5.881871 -1.185247 3.921604
O -5.332803 -3.164323 2.927786
N 1.797498 2.134603 0.551607
N -5.092906 -1.929389 3.219399
C 2.873455 5.631761 -0.040636
C 1.705029 0.767246 0.041053
C 2.119555 5.978694 -1.339392
C 2.561674 6.634730 1.082767
C 4.391161 5.473637 -0.257720
C 2.629772 -0.202496 0.825606
C 2.387081 3.148326 -0.193787
C 0.257066 0.257645 0.076955
C 2.503962 -2.167547 -1.364746
C 1.904618 -3.462978 -1.855530
C -1.476178 -0.203959 1.785019
C 0.538783 -3.514144 -2.241635
C 2.687294 -4.643346 -1.931171
C -2.360598 0.590832 2.544838
C -1.750704 -1.558553 1.487548
C -0.029052 -4.722730 -2.700686
C 2.118802 -5.853371 -2.388832
C 0.759172 -5.895836 -2.775063
C -3.556662 0.023461 3.021507
C -2.947648 -2.126041 1.960239
C -3.833766 -1.328218 2.718809
H 2.006775 0.807725 -1.018846
H 1.031689 6.024986 -1.154591
H 2.449591 6.969825 -1.700599
H 2.320090 5.232709 -2.124345
H 3.059778 6.336098 2.021208
H 1.474690 6.689457 1.265371
H 2.921225 7.639561 0.798148
H 4.602987 4.729953 -1.041891
H 4.820234 6.444591 -0.565686
H 4.885089 5.161670 0.679659
H 3.683570 -0.007104 0.568178
H 2.488599 -0.070855 1.911612
H 1.412699 2.358348 1.470702
H 2.005326 -1.302235 -1.828104
H 3.591662 -2.114186 -1.531368
H -0.070210 -2.603315 -2.184795
H 3.741986 -4.612700 -1.631578
H -2.105386 1.633545 2.752735
H -1.035573 -2.151983 0.911840
H -1.081733 -4.750124 -3.003657
H 2.733879 -6.758321 -2.446359
H 0.318269 -6.833015 -3.132859
H -4.271114 0.600577 3.613444
H -3.201892 -3.169655 1.759005


