%chk=000190327.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000190327

0 1
S 0.725921 0.197184 -1.094290
S 1.561340 -3.113441 -1.040915
P 1.745852 -1.407696 -0.217291
O -2.872325 0.853557 -0.978645
O 2.382985 2.293868 1.030657
O 3.242645 -0.707172 -0.201759
O 1.367201 -1.274756 1.389597
O -2.000863 -0.376026 0.713482
O 1.353061 3.354434 -0.693915
C 0.388861 1.334115 0.308586
C -1.041887 1.801095 0.115642
C -5.021622 -0.037607 -0.252537
C -3.884220 -0.168810 -1.258451
C -6.208954 -0.924832 -0.646422
C -1.975898 0.619689 0.027063
C 1.388893 2.452975 0.106190
C -7.351634 -0.807563 0.358711
C 3.612529 3.077579 0.860092
C 4.424930 2.464287 -0.259307
C 4.322280 -1.547249 0.282113
C 0.313185 -2.140308 1.884921
H 0.528043 0.837531 1.311292
H -1.140101 2.448396 -0.794790
H -1.362180 2.455102 0.959748
H -5.339195 1.021458 -0.179434
H -4.657897 -0.311562 0.759854
H -4.173265 0.104045 -2.289738
H -3.401403 -1.161418 -1.237021
H -5.882514 -1.981945 -0.717474
H -6.571046 -0.647938 -1.656513
H -7.726308 0.220154 0.429216
H -8.196450 -1.445122 0.073093
H -7.038552 -1.111542 1.364615
H 4.070890 2.953683 1.857987
H 3.337803 4.130222 0.675644
H 4.347993 1.362427 -0.239417
H 4.060053 2.780040 -1.247421
H 5.484122 2.731508 -0.192243
H 4.190182 -1.775316 1.346798
H 4.433366 -2.456026 -0.324327
H 5.198483 -0.896925 0.142033
H -0.663604 -1.827899 1.478198
H 0.518915 -3.199446 1.689745
H 0.349286 -1.939548 2.965634


%chk=000190327-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000190327

0 1
S 1.060039 0.174315 -1.476883
S 2.028144 -3.383198 -1.287965
P 2.059738 -1.544500 -0.345949
O -3.037345 0.830897 -1.254629
O 2.405464 2.134294 0.970643
O 3.603176 -0.817934 -0.031361
O 1.424797 -1.500502 1.277658
O -1.951564 -0.425589 0.380444
O 1.245413 3.556201 -0.478411
C 0.416481 1.274703 -0.027137
C -1.007814 1.732998 -0.372848
C -5.213364 0.106426 -0.256747
C -4.139758 -0.183515 -1.312695
C -6.398138 -0.883776 -0.366351
C -2.009878 0.589169 -0.354921
C 1.371252 2.454564 0.108991
C -7.492962 -0.605291 0.685739
C 3.554882 3.093181 1.032707
C 4.503800 2.843822 -0.142790
C 4.602170 -1.657268 0.678664
C 0.317649 -2.424024 1.647345
H 0.452956 0.631882 0.867554
H -1.041714 2.253555 -1.342779
H -1.329320 2.477007 0.384825
H -5.581095 1.143056 -0.384174
H -4.763765 0.034915 0.751714
H -4.532418 -0.077599 -2.337138
H -3.699642 -1.187405 -1.173582
H -6.024455 -1.920596 -0.244879
H -6.837488 -0.824652 -1.382899
H -7.906642 0.413824 0.568758
H -8.328736 -1.322386 0.593746
H -7.086751 -0.688000 1.711052
H 4.021732 2.865150 2.003635
H 3.156453 4.123374 1.030608
H 4.768042 1.774212 -0.199304
H 4.035116 3.139358 -1.096421
H 5.427196 3.437799 -0.011579
H 4.254349 -1.888012 1.700513
H 4.798651 -2.588493 0.116364
H 5.508291 -1.034395 0.712537
H -0.638957 -2.013452 1.287545
H 0.501140 -3.431681 1.231909
H 0.343776 -2.449231 2.747495


