%chk=000186334.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000186334

0 1
S -0.738269 -1.583441 0.479779
O 0.456854 -0.515244 -0.052436
O 1.963308 -3.139412 -1.084693
O -0.473295 -1.834105 1.870641
O -0.701367 -2.684589 -0.467255
C 1.833415 -0.960779 -0.003101
C 2.671468 0.293018 0.090473
C 2.139875 -1.744281 -1.300375
C -2.118346 -0.607740 0.245205
C 3.939954 0.224532 0.686032
C 2.202999 1.509249 -0.423071
C -2.841735 -0.689374 -0.952764
C -2.532234 0.277386 1.250362
C -4.383058 1.000802 -0.142731
C -3.967487 0.107983 -1.147634
C -3.657216 1.077203 1.060038
C 4.734378 1.371226 0.761296
C 3.000751 2.654167 -0.340858
C 4.266728 2.586398 0.248754
C -5.594171 1.846092 -0.342919
H 1.973236 -1.612155 0.894831
H 1.508338 -1.393333 -2.135236
H 3.208594 -1.660126 -1.579228
H 4.307349 -0.718207 1.089925
H 1.210713 1.553354 -0.874514
H -2.525876 -1.387787 -1.737435
H -1.974769 0.338285 2.192800
H -4.526778 0.037952 -2.079456
H -3.974763 1.761584 1.845498
H 5.719340 1.318211 1.222308
H 2.634623 3.599254 -0.737563
H 4.887926 3.477751 0.310499
H -5.532429 2.806260 0.189308
H -5.778269 2.079738 -1.401324
H -6.494140 1.331172 0.031458
H 0.986355 -3.368741 -1.050014


%chk=000186334-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000186334

0 1
S -0.772929 -1.787680 0.278080
O 0.516104 -0.558783 -0.277486
O 1.898573 -3.251102 -1.187891
O -0.475741 -2.212757 1.811743
O -0.907402 -2.935241 -0.877155
C 1.949533 -0.995201 -0.092534
C 2.725119 0.303676 0.010137
C 2.392561 -1.888131 -1.275572
C -2.241883 -0.642846 0.175920
C 3.557607 0.552704 1.129361
C 2.647796 1.270284 -1.026896
C -2.952395 -0.577401 -1.032648
C -2.574609 0.098022 1.321119
C -4.448779 1.066175 0.040456
C -4.064903 0.290005 -1.085733
C -3.691845 0.955864 1.237974
C 4.313981 1.743454 1.207197
C 3.397407 2.463411 -0.944423
C 4.235399 2.702033 0.170248
C -5.662844 1.973352 -0.022979
H 2.021984 -1.576978 0.847951
H 2.101075 -1.392881 -2.227253
H 3.492506 -1.979545 -1.251336
H 3.613152 -0.185765 1.938182
H 1.986906 1.095508 -1.882702
H -2.655747 -1.189636 -1.889646
H -1.990578 -0.000201 2.241395
H -4.640148 0.364938 -2.015242
H -3.976445 1.549403 2.113872
H 4.958437 1.924531 2.074538
H 3.329469 3.207086 -1.746303
H 4.818812 3.627489 0.231973
H -5.547843 2.851563 0.635418
H -5.848266 2.333825 -1.049271
H -6.571957 1.433517 0.305622
H 0.899897 -3.280390 -1.269519


