%chk=000121716.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000121716

0 1
S -2.148061 2.640300 0.421281
S 1.904615 -3.638480 1.111090
S 2.354869 -0.606463 1.454720
O 1.308496 -4.497682 2.114821
O 2.942827 -4.173611 0.236018
O 2.514689 -2.347151 1.832547
N -2.786626 0.105842 0.399403
N 2.726777 1.722329 0.298342
C -2.817917 -1.354301 0.667264
C -1.728203 -2.120338 -0.099977
C -0.605222 -2.612650 0.824871
C -3.599479 0.719903 -0.586131
C -1.852576 0.973402 1.007983
C -3.402943 2.121552 -0.684308
C 0.616174 -3.057744 0.033187
C -0.877445 0.673496 1.875194
C -4.550094 0.089973 -1.401783
C 2.061691 1.124836 1.318025
C 3.538523 0.806068 -0.446264
C -0.035187 1.658874 2.560664
C -4.139587 2.900534 -1.560410
C 2.617501 3.156880 -0.086438
C 1.269995 1.852432 2.284119
C 3.471957 -0.505682 0.063924
C -5.288345 0.882013 -2.286896
C -5.092935 2.266661 -2.369434
C 4.351446 1.115649 -1.552481
C -0.714379 2.429611 3.649271
C 4.240549 -1.525027 -0.500500
C 1.618934 3.341993 -1.222834
C 5.100675 0.088064 -2.114525
C 5.049930 -1.220206 -1.591168
H -3.827286 -1.739655 0.395308
H -2.722916 -1.508424 1.768482
H -1.303403 -1.481421 -0.901651
H -2.178266 -2.982425 -0.629505
H -0.972331 -3.450099 1.458793
H -0.322735 -1.796649 1.535205
H 0.341586 -3.861147 -0.680366
H 0.983011 -2.241359 -0.618898
H -0.644153 -0.374001 2.131978
H -4.711673 -0.983129 -1.352798
H -3.985980 3.977195 -1.623864
H 3.625683 3.531484 -0.377696
H 2.301974 3.747488 0.805191
H 1.844754 2.589941 2.858593
H -6.033192 0.407215 -2.927841
H -5.684391 2.855820 -3.067180
H 4.395578 2.123551 -1.953400
H -0.081069 3.205300 4.096514
H -1.020130 1.751554 4.462728
H -1.632670 2.920413 3.292900
H 4.209482 -2.552123 -0.093608
H 1.892488 2.761368 -2.113655
H 0.607204 3.020034 -0.932495
H 1.551481 4.395020 -1.521388
H 5.741953 0.293099 -2.971470
H 5.655255 -2.004128 -2.047154


%chk=000121716-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000121716

0 1
S -3.618779 2.545057 0.804357
S 0.678655 -3.576972 0.176391
S 1.773629 0.077114 0.770726
O -0.497662 -4.660449 0.544161
O 2.223751 -4.128413 0.012697
O 0.632780 -2.202470 1.141505
N -2.875883 0.031299 0.377936
N 3.554284 2.045821 0.584324
C -2.086056 -1.207505 0.095923
C -1.937204 -1.440149 -1.428068
C -1.302320 -2.804592 -1.803557
C -4.287378 -0.019890 0.469880
C -2.309812 1.298313 0.504648
C -4.883408 1.244603 0.714594
C 0.212494 -2.932896 -1.614994
C -0.932222 1.553538 0.429390
C -5.107130 -1.167346 0.351582
C 2.181363 1.845222 0.605823
C 4.334006 0.855717 0.616666
C -0.212357 2.781393 0.534941
C -6.271275 1.402709 0.853200
C 4.185714 3.382267 0.460426
C 1.208743 2.874482 0.550693
C 3.545240 -0.323449 0.704564
C -6.502889 -1.016132 0.489624
C -7.085745 0.251743 0.738774
C 5.743389 0.756373 0.557450
C -0.956993 4.105784 0.629707
C 4.106374 -1.612515 0.715315
C 4.355496 3.820164 -1.008953
C 6.320812 -0.531227 0.584589
C 5.517163 -1.698529 0.656555
H -2.623201 -2.051495 0.561866
H -1.104395 -1.188903 0.609053
H -1.343927 -0.616288 -1.872566
H -2.944126 -1.391126 -1.889574
H -1.525326 -2.990446 -2.873058
H -1.782910 -3.631256 -1.238142
H 0.644479 -3.722786 -2.249693
H 0.783813 -1.995236 -1.713582
H -0.351459 0.646569 0.252653
H -4.676661 -2.153710 0.160752
H -6.713633 2.384855 1.045100
H 5.162590 3.336641 0.970608
H 3.575272 4.109966 1.021132
H 1.600130 3.898271 0.535522
H -7.144077 -1.899091 0.402590
H -8.171164 0.344616 0.843380
H 6.380108 1.643031 0.482352
H -0.260382 4.959519 0.596187
H -1.520530 4.179092 1.580272
H -1.685541 4.229914 -0.193139
H 3.474319 -2.513826 0.731065
H 4.987237 3.105228 -1.563807
H 3.378829 3.882772 -1.518934
H 4.835784 4.813853 -1.054188
H 7.410952 -0.626663 0.538242
H 5.987943 -2.686564 0.657335


