%chk=000191941.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000191941

0 1
S -1.704080 -2.119710 0.200432
O -3.922644 1.876756 -1.462966
O -2.244543 3.559674 -0.671916
O -0.058740 3.189478 0.930088
O -2.587857 -2.572028 -0.859499
O -1.552930 -2.890565 1.412880
O 1.582481 2.550693 -0.982491
O -4.488655 0.390766 2.005407
N -2.270821 -0.563504 0.705864
N 4.329169 0.227555 -0.312343
C -2.760049 1.279656 -0.871702
C -3.342910 0.075171 -0.079248
C -2.016319 2.310385 0.009223
C -0.494063 2.079703 0.124463
C -0.175822 -1.717410 -0.503679
C 0.929948 -1.288128 0.295199
C 0.235838 2.127897 -1.232891
C 2.106632 -0.826513 -0.366175
C -4.500830 0.564781 0.809839
C 3.203660 -0.319503 0.429361
C -0.073511 -1.770160 -1.877774
C 0.896045 -1.289568 1.725487
C 2.166216 -0.866415 -1.792182
C 1.109197 -1.344802 -2.531644
C 3.117350 -0.307560 1.805432
C 1.955580 -0.808829 2.451469
C 5.316967 -0.836752 -0.669915
C 4.998196 1.373888 0.369222
H -2.119473 0.920007 -1.707232
H -3.789815 -0.639752 -0.838994
H -2.459144 2.392472 1.029595
H -0.265067 1.151799 0.696899
H -2.423739 -0.427409 1.726839
H 0.216739 1.163540 -1.764080
H -0.169915 2.930525 -1.884186
H -5.310779 1.077132 0.267739
H -3.772512 2.844304 -1.642371
H -0.912543 -2.132232 -2.490854
H -1.738592 4.273378 -0.205035
H 0.033215 -1.715318 2.253811
H 3.068157 -0.498894 -2.295089
H 1.163576 -1.396244 -3.618791
H 0.845658 3.486559 0.628218
H 3.932451 0.067411 2.422031
H 1.925954 -0.811687 3.543515
H 2.150580 1.776856 -0.749812
H 5.897501 -1.216567 0.185277
H 4.800520 -1.692662 -1.134079
H 6.019967 -0.426360 -1.413824
H 5.591580 1.108390 1.256890
H 5.670663 1.858663 -0.360238
H 4.246309 2.124433 0.664329


%chk=000191941-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000191941

0 1
S -1.577702 -2.101441 0.212004
O -3.995487 1.650976 -1.917847
O -2.583569 3.731323 -1.106960
O -1.184458 4.011700 1.157316
O -2.519258 -2.703845 -0.981570
O -1.396154 -2.883895 1.626154
O 1.152729 2.721574 0.638439
O -4.722329 -0.001736 1.759135
N -2.231536 -0.378811 0.673894
N 4.802633 -0.200336 -0.429041
C -2.872994 1.365566 -1.019828
C -3.299615 0.099651 -0.229343
C -2.605290 2.613255 -0.147830
C -1.291453 2.622259 0.658523
C 0.100562 -1.700406 -0.579282
C 1.172848 -1.161548 0.204098
C -0.024662 2.313844 -0.161887
C 2.415915 -0.902620 -0.511235
C -4.596717 0.335089 0.556031
C 3.558066 -0.362631 0.218638
C 0.164688 -1.957066 -1.943280
C 1.060817 -0.816381 1.590506
C 2.458020 -1.109230 -1.928038
C 1.368677 -1.628478 -2.632319
C 3.372247 0.038336 1.559168
C 2.136624 -0.190483 2.228741
C 5.456248 -1.350116 -1.097333
C 5.760774 0.776751 0.112445
H -1.967493 1.125499 -1.614470
H -3.543348 -0.676449 -0.996212
H -3.448810 2.764018 0.560880
H -1.364552 1.917026 1.508497
H -2.638947 -0.541612 1.627171
H 0.029620 1.245614 -0.429878
H 0.005708 2.936821 -1.071267
H -5.411841 0.819322 -0.020947
H -3.872594 2.591311 -2.222907
H -0.702878 -2.376436 -2.463290
H -2.198888 4.502869 -0.606028
H 0.150852 -1.057615 2.144152
H 3.354869 -0.807070 -2.475223
H 1.423724 -1.766615 -3.716288
H -0.221107 4.137572 1.384293
H 4.204247 0.471617 2.120758
H 2.052365 0.077687 3.287693
H 1.459521 1.950980 1.184477
H 6.272536 -1.753339 -0.460092
H 4.737050 -2.163567 -1.270561
H 5.894825 -1.049680 -2.067871
H 6.305063 0.405292 1.010493
H 6.511743 1.003766 -0.664823
H 5.243508 1.714991 0.372640


