%chk=000198937.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000198937

0 1
S -3.384878 0.773071 -0.414710
S 3.455334 0.583701 -0.101840
O -2.835563 2.049238 0.014093
O -3.625781 0.556405 -1.831244
O 4.500840 -0.287854 0.403777
O 3.362425 0.792717 -1.538079
N -0.032456 -1.495544 -0.230987
C -2.301551 -0.526891 0.141436
C 1.866941 -0.012547 0.446887
C -0.970127 -0.392593 -0.626584
C 1.397142 -1.123435 -0.512294
C -2.105719 -0.418085 1.647509
C 1.976533 -0.507334 1.882525
C -0.372460 -2.765419 -0.940774
C -4.897912 0.510399 0.437109
C 3.617284 2.151875 0.668401
H -2.731793 -1.532466 -0.093986
H 1.103421 0.811009 0.411279
H -1.167548 -0.371960 -1.724921
H -0.495223 0.586489 -0.366934
H 1.553163 -0.803690 -1.571995
H 2.020119 -2.035292 -0.356108
H -1.774899 0.585740 1.951879
H -1.311922 -1.114027 1.972785
H -3.006456 -0.675047 2.212804
H 2.820721 -1.202749 2.018612
H 1.067286 -1.065189 2.161884
H 2.088726 0.308019 2.603652
H 0.264697 -3.576166 -0.551010
H -0.257140 -2.729464 -2.035180
H -1.415677 -3.038748 -0.715512
H -4.927085 1.005500 1.417610
H -5.753616 0.925992 -0.120321
H -5.150438 -0.541642 0.602709
H 3.346855 2.162033 1.729942
H 4.656629 2.517452 0.635271
H 3.026029 2.937403 0.177814


%chk=000198937-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000198937

0 1
S -3.510691 0.794757 -0.521284
S 3.544335 0.685590 -0.097081
O -2.889866 2.243113 -0.066806
O -3.757841 0.437212 -2.100745
O 4.794235 -0.220648 0.451638
O 3.364015 0.978489 -1.700598
N -0.033088 -1.510254 -0.277385
C -2.298692 -0.589018 0.218082
C 1.848607 -0.140743 0.574190
C -1.047768 -0.507933 -0.685986
C 1.361733 -1.068860 -0.555171
C -2.054554 -0.281811 1.690240
C 2.158600 -0.823864 1.899462
C -0.324753 -2.866835 -0.795940
C -5.193321 0.585854 0.379779
C 3.649096 2.390632 0.774039
H -2.880478 -1.510360 0.039934
H 1.198282 0.747536 0.669871
H -1.353584 -0.627713 -1.750471
H -0.618721 0.506482 -0.583949
H 1.466640 -0.556172 -1.537051
H 2.009681 -1.963975 -0.583034
H -1.772514 0.779593 1.821179
H -1.213099 -0.912428 2.029630
H -2.931303 -0.500692 2.324455
H 3.078680 -1.430488 1.814060
H 1.311618 -1.491031 2.144383
H 2.290707 -0.107493 2.729008
H 0.399239 -3.587473 -0.378431
H -0.281115 -2.927906 -1.909218
H -1.333169 -3.185553 -0.477678
H -5.022280 0.776216 1.447735
H -5.837859 1.351117 -0.074913
H -5.553997 -0.430754 0.169965
H 3.637000 2.207865 1.857557
H 4.607801 2.812374 0.441627
H 2.794325 2.986075 0.424406


