%chk=000267356.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000267356

0 1
S 0.005234 -2.260187 -1.242534
O 0.919447 -2.102336 -2.601376
O -1.563212 -2.702798 -1.388537
O 2.250097 0.762149 3.167628
O 1.615695 -1.308679 2.356472
N 0.022577 -0.478246 0.132272
N 1.987477 -0.065996 2.188233
C -1.240762 0.147720 0.074811
C 1.217871 0.213328 -0.217025
C -2.312272 -0.487316 0.806586
C -1.478994 1.384997 -0.603661
C -2.742480 2.005721 -0.595455
C 2.189079 0.437975 0.803727
C -3.575855 0.144974 0.791418
C 0.904512 -3.496009 -0.083128
C 1.538359 0.672758 -1.526417
C -3.797188 1.357368 0.103453
C -2.097545 -1.752736 1.605387
C 3.377447 1.157823 0.565686
C -2.969622 3.324298 -1.315237
C 2.750890 1.343775 -1.786500
C 3.665572 1.604550 -0.740734
H -0.650557 1.877310 -1.123597
H -4.400805 -0.318035 1.344809
H 1.910937 -3.610566 -0.507539
H 0.917917 -3.017884 0.905597
H 0.313824 -4.421479 -0.121360
H 0.841338 0.468216 -2.343577
H -4.792549 1.817006 0.121506
H -1.080735 -1.778298 2.034449
H -2.835325 -1.830638 2.422340
H -2.213078 -2.639694 0.954009
H 4.061270 1.347384 1.398195
H -2.282990 4.108615 -0.946207
H -2.795696 3.222908 -2.402816
H -4.001880 3.687136 -1.174476
H 2.977608 1.666630 -2.807717
H 4.597992 2.142055 -0.938984


%chk=000267356-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000267356

0 1
S 0.157897 -2.260282 -1.124533
O 1.326895 -2.055908 -2.266268
O -1.350134 -2.707475 -1.596673
O 2.428398 0.697628 3.175956
O 1.828384 -1.330355 2.326627
N 0.034037 -0.383617 0.260097
N 2.147314 -0.088125 2.191185
C -1.243400 0.182964 0.094875
C 1.214476 0.297220 -0.138031
C -2.348713 -0.522077 0.701596
C -1.481785 1.446540 -0.544778
C -2.766033 2.011923 -0.619620
C 2.260978 0.467912 0.821914
C -3.634915 0.055275 0.599509
C 0.824026 -3.575814 0.092006
C 1.467404 0.784022 -1.454408
C -3.851533 1.286352 -0.051140
C -2.151596 -1.819225 1.451870
C 3.442532 1.177121 0.531134
C -3.000609 3.359212 -1.279468
C 2.670619 1.446473 -1.770700
C 3.652229 1.663158 -0.776411
H -0.635194 2.008878 -0.949738
H -4.482014 -0.470461 1.054853
H 1.219807 -4.386334 -0.535690
H 1.589806 -3.066527 0.692165
H -0.032617 -3.886951 0.703624
H 0.722033 0.605658 -2.233996
H -4.864730 1.703292 -0.103162
H -1.152270 -1.851806 1.919052
H -2.920976 -1.941538 2.233513
H -2.237409 -2.676981 0.756976
H 4.184132 1.327310 1.321170
H -2.064757 3.784843 -1.679523
H -3.717365 3.272904 -2.117501
H -3.423606 4.088372 -0.563312
H 2.842348 1.788990 -2.796014
H 4.579936 2.191232 -1.017454


