%chk=000286914.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000286914

0 1
S 1.265884 1.538581 -0.177669
O 0.398550 0.166677 -0.670423
O 0.912534 1.949030 1.147049
O 1.145852 2.475309 -1.264114
O 2.885275 -1.611647 2.352901
O 1.261550 -0.406385 1.561248
N 2.417486 -0.786627 1.590299
C -5.257843 -0.251102 -0.077690
C -3.740764 -0.137641 -0.250215
C -5.933262 -0.909200 -1.296413
C -5.819102 1.173657 0.102490
C -5.579280 -1.105947 1.165308
C -3.121267 -0.290006 -1.499238
C -2.942593 0.164417 0.870188
C -0.979576 0.132993 -0.502277
C -1.737219 -0.155826 -1.641196
C -1.560083 0.298028 0.761028
C 2.879645 0.851947 -0.253501
C 3.337669 -0.174467 0.581355
C 3.752721 1.381941 -1.202820
C 4.642801 -0.662790 0.494408
C 5.068372 0.900683 -1.306077
C 5.512222 -0.114479 -0.459925
H -7.012564 -1.011168 -1.139295
H -5.798157 -0.317438 -2.207668
H -5.535554 -1.912870 -1.480806
H -5.591217 1.802694 -0.764957
H -6.906065 1.161544 0.227484
H -5.392390 1.668580 0.981172
H -6.657495 -1.260877 1.273087
H -5.107497 -2.092423 1.099030
H -5.228190 -0.635494 2.089648
H -3.713009 -0.510971 -2.387659
H -3.408052 0.295658 1.848460
H -1.250876 -0.274626 -2.606140
H -0.939032 0.520994 1.634765
H 3.413270 2.180926 -1.880317
H 4.977188 -1.463897 1.164326
H 5.740534 1.326480 -2.054350
H 6.535435 -0.489757 -0.535896


%chk=000286914-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000286914

0 1
S 1.347465 1.478313 -0.826305
O 0.288927 -0.333812 -0.890230
O 0.830425 2.554204 0.279610
O 1.491003 2.011567 -2.361861
O 3.159087 -0.401192 3.076085
O 1.380883 0.215701 1.791091
N 2.636668 0.001314 1.967139
C -5.412635 -0.237368 -0.022081
C -3.891118 -0.231975 -0.280298
C -6.239503 -0.138441 -1.329559
C -5.783951 0.977110 0.884921
C -5.800504 -1.561803 0.706294
C -3.335476 -0.163305 -1.591147
C -2.988170 -0.291310 0.825889
C -1.058471 -0.236996 -0.679063
C -1.945871 -0.148890 -1.795614
C -1.598838 -0.282128 0.645886
C 3.114698 0.786059 -0.412513
C 3.543420 0.220583 0.808468
C 4.012023 0.928766 -1.484297
C 4.888364 -0.188885 0.962210
C 5.354499 0.512363 -1.332287
C 5.791472 -0.042603 -0.108797
H -7.316949 -0.145031 -1.084271
H -6.029403 0.797158 -1.880014
H -6.046980 -0.993046 -2.004150
H -5.514754 1.931370 0.397031
H -6.872782 0.980862 1.078431
H -5.267378 0.937472 1.859994
H -6.886036 -1.569781 0.917671
H -5.562680 -2.440868 0.079998
H -5.266830 -1.673784 1.666766
H -3.996163 -0.114045 -2.460771
H -3.386068 -0.335018 1.845558
H -1.515147 -0.091607 -2.800827
H -0.906933 -0.308603 1.492778
H 3.648222 1.368504 -2.419563
H 5.189898 -0.618205 1.921576
H 6.050841 0.625905 -2.169102
H 6.830643 -0.364051 0.010957


