%chk=000297281.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000297281

0 1
S -1.387495 -1.896482 -1.222585
O 0.618396 2.925069 -0.467869
O 3.379771 1.311044 -2.118901
O -2.829404 -0.411830 0.536088
O -1.215577 1.267653 4.848372
O 0.458332 2.560841 4.398004
O 1.819466 -3.536605 -2.965726
O -0.161202 -3.129593 -2.195462
N -0.460368 1.827503 4.073004
N -4.041745 -1.599833 -0.935782
N 1.057839 -2.896296 -2.264104
C 1.972947 3.291291 -2.364639
C 0.662128 2.659685 -1.909998
C 3.206432 2.690723 -1.689475
C -0.145186 2.114059 0.323415
C -1.062970 1.156953 -0.133549
C 0.060048 2.353262 1.701438
C -1.770721 0.436993 0.832661
C 2.742197 0.331264 -1.382048
C -0.672079 1.595819 2.611329
C -1.592824 0.624180 2.213505
C 2.260646 -0.742303 -2.148876
C 2.619909 0.353718 0.017124
C 1.616334 -1.775328 -1.465272
C 1.988316 -0.710951 0.659453
C 1.467203 -1.784436 -0.074669
C -2.785272 -1.270531 -0.561297
C -4.235707 -2.642130 -1.973376
C -5.254175 -1.109053 -0.242646
H 1.954946 4.384365 -2.163450
H 2.056292 3.177892 -3.467468
H 0.630289 1.570472 -2.096513
H -0.221970 3.153400 -2.348870
H 4.143970 3.149787 -2.058452
H 3.153180 2.761242 -0.588758
H -1.217277 0.957124 -1.193640
H 0.774491 3.112950 2.028482
H -2.161160 0.036336 2.938552
H 2.395679 -0.750418 -3.230774
H 3.010229 1.194354 0.590709
H 1.888540 -0.706027 1.746854
H 0.941076 -2.597910 0.430743
H -5.299795 -2.753944 -2.226905
H -3.843842 -3.620880 -1.632358
H -3.678476 -2.377172 -2.895240
H -5.990913 -0.737771 -0.975204
H -5.010292 -0.275290 0.444404
H -5.719807 -1.911194 0.356369


%chk=000297281-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000297281

0 1
S -1.972647 -1.632985 -0.656801
O 0.673050 2.744936 -0.150537
O 3.256657 1.263671 -2.568277
O -3.543995 0.280502 0.600367
O -1.996257 1.739342 5.130231
O -0.057299 2.883118 4.764103
O 3.979833 -3.404265 -4.039666
O 3.359055 -4.723625 -2.288134
N -1.076739 2.206089 4.353369
N -4.686816 -1.282607 -0.610434
N 3.527743 -3.569373 -2.841448
C 1.802996 3.252972 -2.222145
C 0.561721 2.592982 -1.621054
C 3.131818 2.564621 -1.870623
C -0.346869 2.218018 0.648612
C -1.444853 1.479773 0.143866
C -0.217302 2.464149 2.035550
C -2.391034 0.966720 1.057534
C 3.043142 0.055368 -1.892322
C -1.200267 1.945770 2.895980
C -2.298566 1.184053 2.439766
C 3.376373 -1.098546 -2.640085
C 2.527362 -0.072492 -0.575750
C 3.179443 -2.359598 -2.049938
C 2.345533 -1.359478 -0.018595
C 2.667945 -2.523182 -0.742555
C -3.440778 -0.870126 -0.232580
C -4.808642 -2.495891 -1.445709
C -5.943676 -0.625746 -0.188102
H 1.853200 4.304575 -1.879819
H 1.694187 3.266299 -3.322960
H 0.505136 1.518267 -1.882898
H -0.359551 3.100833 -1.968240
H 3.973422 3.161606 -2.260421
H 3.256258 2.448530 -0.779835
H -1.569048 1.282738 -0.921765
H 0.619110 3.046216 2.428136
H -3.036280 0.784273 3.137213
H 3.777397 -1.010271 -3.652099
H 2.249415 0.807654 0.011044
H 1.933925 -1.447122 0.991590
H 2.528857 -3.525325 -0.332122
H -5.865799 -2.621032 -1.729453
H -4.464183 -3.388531 -0.893551
H -4.186204 -2.403293 -2.351926
H -6.521467 -0.315923 -1.078141
H -5.719028 0.257708 0.421257
H -6.555877 -1.329371 0.405965


