%chk=000284661.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000284661

0 1
S -0.721534 -1.096044 0.610179
O -0.540997 -0.556119 1.934583
O -0.007835 -2.287001 0.199058
O 2.415380 3.190684 -1.899593
O 4.860297 -2.143682 0.500027
N -0.237389 0.115887 -0.565188
C 0.841394 -0.317392 -1.490370
C -0.423850 1.511381 -0.345363
C 2.203398 -0.136119 -0.863766
C 2.700400 1.174324 -0.727735
C 0.502766 2.515374 -0.705912
C 1.902921 2.340960 -1.193157
C -2.404012 -1.312053 0.312360
C 2.949864 -1.224775 -0.433955
C -1.677794 1.898124 0.198433
C 3.975057 1.384201 -0.188460
C 0.123866 3.870806 -0.570050
C 4.226006 -0.986876 0.123314
C 4.750486 0.307448 0.248433
C -2.869827 -1.647276 -0.963692
C -3.311210 -1.195084 1.374619
C -2.002195 3.238819 0.355907
C -1.104926 4.240211 -0.041386
C -4.231625 -1.854944 -1.183273
C -4.672322 -1.402926 1.162824
C -5.144266 -1.734253 -0.120771
C -6.598421 -1.972188 -0.347372
C 6.168191 -2.034990 1.114651
H 0.768166 0.261905 -2.442776
H 0.668968 -1.387081 -1.773374
H 2.562509 -2.245182 -0.488721
H -2.415621 1.154725 0.488956
H 4.365637 2.402008 -0.110669
H 0.834291 4.641973 -0.892909
H -2.170113 -1.748685 -1.798612
H -2.948783 -0.935075 2.377950
H 5.732941 0.484841 0.671297
H -2.967493 3.514980 0.782604
H -1.369189 5.288982 0.065384
H -4.586322 -2.114430 -2.179408
H -5.370610 -1.312284 1.993385
H -7.233735 -1.378057 0.324861
H -6.911604 -1.735595 -1.374178
H -6.850560 -3.030858 -0.172333
H 6.407645 -3.088102 1.314215
H 6.103912 -1.465312 2.046236
H 6.882436 -1.595850 0.412645


%chk=000284661-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000284661

0 1
S -0.505975 -1.169722 0.162181
O -0.076948 -0.706000 1.667659
O 0.114265 -2.513888 -0.529260
O 2.584778 3.622447 -0.120325
O 5.002486 -2.278783 0.106030
N -0.193512 0.269394 -1.265348
C 1.136937 -0.030752 -1.855622
C -0.500072 1.586675 -0.830216
C 2.334378 0.042030 -0.926426
C 2.688480 1.249941 -0.252557
C 0.437684 2.638343 -0.528561
C 1.941052 2.538686 -0.334916
C -2.380547 -1.344769 0.164487
C 3.135541 -1.104119 -0.776535
C -1.900280 1.879434 -0.820679
C 3.866407 1.260480 0.543043
C -0.087133 3.945456 -0.305204
C 4.296051 -1.077415 0.034984
C 4.668045 0.118579 0.702490
C -2.991138 -2.032377 -0.896634
C -3.087146 -0.829878 1.262467
C -2.384705 3.165612 -0.542224
C -1.464996 4.216093 -0.297551
C -4.392972 -2.196257 -0.851576
C -4.488052 -1.009152 1.283610
C -5.159159 -1.690018 0.233361
C -6.660253 -1.905874 0.286371
C 6.198009 -2.322607 0.955613
H 1.241256 0.685158 -2.696233
H 1.066563 -1.042495 -2.288483
H 2.862728 -2.042017 -1.268390
H -2.586492 1.073964 -1.097713
H 4.135579 2.198407 1.038168
H 0.643718 4.736115 -0.108937
H -2.392615 -2.438634 -1.717653
H -2.553933 -0.319368 2.070958
H 5.555596 0.164222 1.339789
H -3.462956 3.358371 -0.551918
H -1.822274 5.233286 -0.105528
H -4.896989 -2.728559 -1.666389
H -5.065179 -0.616086 2.128410
H -7.168781 -1.094534 0.835313
H -7.099249 -1.966012 -0.724535
H -6.900493 -2.854010 0.805316
H 6.572039 -3.352657 0.867069
H 5.945693 -2.105083 2.010885
H 6.968859 -1.612226 0.600107


