%chk=000191371.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000191371

0 1
S 0.448754 1.383425 -0.869089
O 1.517520 -0.558492 0.614866
O 4.263838 0.126610 1.719078
O 4.243179 -0.995852 -1.658137
O 3.265355 2.493294 0.914891
O 2.207430 -3.577501 -1.239420
O -6.071650 0.892675 0.260684
O -5.396559 -0.646990 1.622150
N -5.198682 0.228626 0.795041
C 4.065757 0.279918 0.311762
C 3.713485 -1.077901 -0.329341
C 2.986262 1.369588 0.091615
C 2.188304 -1.312126 -0.429785
C 1.581913 0.850834 0.470354
C 1.772288 -2.764778 -0.146528
C -1.174813 1.012595 -0.304612
C -2.203137 1.758034 -0.897496
C -1.442662 0.015814 0.637255
C -3.525505 1.500286 -0.539756
C -2.764064 -0.240097 1.004545
C -3.797395 0.502465 0.411666
H 5.063636 0.636054 -0.051213
H 4.228192 -1.898794 0.222917
H 3.045503 1.779530 -0.948151
H 1.819095 -0.975279 -1.428042
H 1.242660 1.223178 1.465565
H 0.681353 -2.848022 0.005483
H 2.293811 -3.199090 0.728212
H 3.482517 -0.317243 2.132036
H 4.269341 -1.896852 -2.060533
H 3.692241 2.202567 1.767789
H 1.589241 -3.496302 -1.997972
H -1.982129 2.540027 -1.628511
H -0.632290 -0.571682 1.080957
H -4.351370 2.066596 -0.985908
H -3.004118 -1.012614 1.743928


%chk=000191371-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000191371

0 1
S 0.361049 1.281123 -1.101673
O 1.510030 -0.707375 0.539643
O 3.980741 0.186437 1.938362
O 4.618531 -1.162222 -1.421315
O 3.154083 2.565685 0.705034
O 2.874126 -3.557613 -1.453944
O -6.228026 1.180394 0.560498
O -5.466660 -0.371313 2.052241
N -5.282310 0.479522 1.095612
C 4.009044 0.265573 0.459035
C 3.829935 -1.123707 -0.190308
C 2.942680 1.298785 0.018342
C 2.332711 -1.386124 -0.497399
C 1.512189 0.743667 0.327956
C 1.983842 -2.876657 -0.482876
C -1.300634 1.000166 -0.388288
C -2.368741 1.757155 -0.940644
C -1.551555 0.064390 0.649330
C -3.679097 1.585638 -0.461485
C -2.858438 -0.098958 1.144726
C -3.908254 0.660592 0.582627
H 5.011671 0.647977 0.213705
H 4.201469 -1.880439 0.534015
H 3.065330 1.513548 -1.057829
H 2.087816 -0.945719 -1.487257
H 1.102651 1.182070 1.251281
H 0.916559 -3.042463 -0.719657
H 2.208592 -3.322772 0.500608
H 3.184490 -0.348461 2.200235
H 4.515177 -2.084156 -1.783165
H 3.454490 2.337409 1.628394
H 2.407852 -3.656563 -2.320300
H -2.169509 2.487049 -1.731854
H -0.737044 -0.547923 1.045715
H -4.516932 2.157878 -0.867885
H -3.080557 -0.810092 1.944824


