%chk=000258247.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000258247

0 1
S 2.766989 -0.517480 -1.498702
S -2.766919 -0.517680 1.498637
O 2.478804 0.270953 -2.685063
O 3.132836 -1.915851 -1.652043
O -2.478773 0.270676 2.685058
O -3.132715 -1.916076 1.651866
N 1.349555 -0.513246 -0.498869
N -1.349476 -0.513314 0.498818
C 0.519696 0.723468 -0.571736
C 0.509031 -1.743570 -0.579500
C -0.519617 0.723390 0.571854
C -0.508951 -1.743648 0.579287
C 3.926309 0.329176 -0.547722
C -3.926265 0.329003 0.547712
C 4.440299 -0.200184 0.645977
C -4.440227 -0.200287 -0.646029
C 4.369905 1.578901 -1.010849
C -4.369912 1.578676 1.010930
C 5.393716 0.544343 1.371992
C -5.393669 0.544256 -1.371994
C 3.997310 -1.524326 1.160900
C -3.997182 -1.524373 -1.161047
C 5.311573 2.307556 -0.291343
C -5.311605 2.307348 0.291473
C 5.822646 1.783419 0.906664
C -5.822650 1.783281 -0.906576
H -0.000368 0.815836 -1.554293
H 1.180349 1.611847 -0.462656
H 1.171066 -2.638727 -0.500207
H -0.029948 -1.817427 -1.551476
H 0.000446 0.815624 1.554424
H -1.180270 1.611785 0.462898
H -1.170984 -2.638795 0.499880
H 0.030028 -1.817630 1.551254
H 3.972200 1.980196 -1.952812
H -3.972228 1.979917 1.952925
H 5.795657 0.142930 2.300713
H -5.795588 0.142897 -2.300747
H 4.589152 -1.880522 2.013362
H 2.943863 -1.495788 1.489939
H 4.057725 -2.312979 0.382678
H -4.057570 -2.313085 -0.382883
H -4.589006 -1.880529 -2.013539
H -2.943735 -1.495767 -1.490081
H 5.654162 3.274292 -0.654033
H -5.654233 3.274043 0.654234
H 6.561624 2.352646 1.473230
H -6.561648 2.352521 -1.473103


%chk=000258247-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000258247

0 1
S 2.861268 -0.604192 -1.533213
S -2.861186 -0.604395 1.533136
O 2.554924 0.283687 -2.872750
O 3.295649 -2.168292 -1.683235
O -2.554874 0.283393 2.872741
O -3.295514 -2.168522 1.683040
N 1.352307 -0.604837 -0.355774
N -1.352224 -0.604899 0.355698
C 0.549771 0.637529 -0.544959
C 0.529473 -1.834985 -0.561758
C -0.549717 0.637469 0.544990
C -0.529361 -1.835044 0.561578
C 4.115751 0.371720 -0.494005
C -4.115707 0.371551 0.494005
C 4.616851 -0.157589 0.719797
C -4.616779 -0.157678 -0.719843
C 4.509292 1.596359 -1.059131
C -4.509306 1.596124 1.059235
C 5.574956 0.656676 1.382151
C -5.574920 0.656600 -1.382129
C 4.185279 -1.486985 1.302855
C -4.185141 -1.487003 -1.303014
C 5.464590 2.374382 -0.368316
C -5.464638 2.374161 0.368485
C 5.992687 1.899065 0.853366
C -5.992710 1.898924 -0.853239
H 0.085944 0.691788 -1.550784
H 1.199787 1.518594 -0.401161
H 1.183723 -2.718547 -0.479526
H 0.022323 -1.849329 -1.549399
H -0.085892 0.691653 1.550820
H -1.199754 1.518532 0.401269
H -1.183589 -2.718616 0.479270
H -0.022211 -1.849461 1.549217
H 4.080283 1.913224 -2.015818
H -4.080313 1.912926 2.015951
H 5.995827 0.299083 2.328629
H -5.995772 0.299068 -2.328639
H 4.696255 -1.677517 2.260601
H 3.093214 -1.496817 1.473785
H 4.406214 -2.315111 0.606599
H -4.406012 -2.315196 -0.606818
H -4.696125 -1.677490 -2.260765
H -3.093079 -1.496755 -1.473967
H 5.791335 3.333035 -0.783287
H -5.791429 3.332763 0.783537
H 6.735372 2.494389 1.395548
H -6.735422 2.494260 -1.395372


