%chk=000278783.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000278783

0 1
S 2.995296 0.732223 0.041281
S 0.253373 2.077859 -0.974626
O -2.577738 -0.817246 1.866660
O 3.819237 0.958286 1.198546
O 2.622314 1.812088 -0.859088
O -0.384351 -1.303408 2.097499
N 1.444367 0.186391 0.620575
C -2.033205 1.233465 -0.086117
C -1.027058 0.427176 0.587750
C 0.264709 0.762034 0.203869
C -1.509587 2.145185 -0.950694
C -3.480613 1.070046 0.151845
C 3.580280 -0.618142 -0.831500
C -2.177351 3.133463 -1.811282
C -1.257478 -0.627326 1.561521
C -4.110194 1.801528 1.171118
C -4.232524 0.206603 -0.659868
C 3.154721 -0.843367 -2.147679
C 4.494904 -1.498643 -0.236707
C 4.543633 -2.829855 -2.264813
C 3.630536 -1.941737 -2.861347
C 4.973653 -2.598196 -0.944842
C -5.485839 1.666284 1.374781
C -5.607862 0.077230 -0.449180
C -6.236051 0.806650 0.565507
C 5.042325 -4.015672 -3.017217
C -2.909032 -1.869429 2.829300
C -2.856419 -3.222481 2.149711
H 1.337582 -0.528064 1.385255
H -1.933687 2.987495 -2.874718
H -3.275294 3.071806 -1.723004
H -1.894966 4.164850 -1.546715
H -3.521857 2.464036 1.803630
H -3.739664 -0.364235 -1.444173
H 2.449969 -0.151147 -2.624251
H 4.841683 -1.318518 0.788600
H 3.293179 -2.111291 -3.882950
H 5.682083 -3.279448 -0.475542
H -5.973760 2.231415 2.166475
H -6.190728 -0.594134 -1.076359
H -7.306669 0.704433 0.726311
H 5.012310 -3.872482 -4.106758
H 6.079541 -4.273367 -2.758118
H 4.428064 -4.903749 -2.794994
H -2.217364 -1.796162 3.686911
H -3.932368 -1.562844 3.114461
H -3.253024 -4.012846 2.795957
H -3.436452 -3.223404 1.217744
H -1.821624 -3.490655 1.888732


%chk=000278783-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000278783

0 1
S 2.548137 -1.010159 0.760485
S -0.077290 -0.231764 -1.903659
O -2.574872 -0.356257 2.439276
O 3.101760 -1.921822 1.997757
O 2.317209 0.603591 0.900897
O -1.061254 -2.118759 2.255906
N 0.739744 -1.938111 0.098650
C -2.242642 0.257721 -0.419127
C -1.429336 -0.653765 0.358764
C -0.226659 -1.053953 -0.289978
C -1.652071 0.609718 -1.639551
C -3.604033 0.742175 -0.038709
C 3.681886 -1.282471 -0.714911
C -2.168920 1.521740 -2.715705
C -1.667012 -1.131826 1.737552
C -3.853069 2.122067 0.172768
C -4.679680 -0.175189 0.087884
C 3.844658 -0.232410 -1.632497
C 4.338980 -2.518373 -0.828279
C 5.399929 -1.677069 -2.891622
C 4.716750 -0.443980 -2.723307
C 5.204404 -2.702907 -1.927867
C -5.147813 2.576135 0.510557
C -5.973831 0.277241 0.422915
C -6.213154 1.655566 0.636857
C 6.309020 -1.902473 -4.085840
C -2.851976 -0.763147 3.853964
C -3.937038 -1.842287 3.904548
H 0.456543 -2.409071 0.993078
H -2.123324 1.043929 -3.711460
H -3.217096 1.794162 -2.511293
H -1.580447 2.457739 -2.771719
H -3.024041 2.835064 0.096642
H -4.498286 -1.243097 -0.079960
H 3.325668 0.719494 -1.481531
H 4.197261 -3.296249 -0.071578
H 4.869716 0.361868 -3.450258
H 5.736070 -3.655160 -2.037055
H -5.321894 3.644650 0.679872
H -6.795577 -0.442407 0.512102
H -7.217718 2.006662 0.898162
H 6.709633 -0.951467 -4.476960
H 7.161831 -2.555066 -3.829741
H 5.757666 -2.392748 -4.911527
H -1.909326 -1.113827 4.308642
H -3.179169 0.177261 4.324370
H -4.195083 -2.057883 4.958104
H -4.850360 -1.502775 3.386142
H -3.582899 -2.777615 3.439735


