%chk=000188059.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000188059

0 1
S -1.076398 -1.536027 0.957996
P -1.766024 -0.284198 -0.565467
O -2.383821 0.931798 0.355925
O -3.091654 -1.030483 -1.178194
O -0.793250 0.041548 -1.628374
N 3.851714 0.167407 0.543433
C 2.878033 -0.835613 -0.021763
C 1.612984 -0.886476 0.890492
C 2.479490 -0.387219 -1.445887
C 1.991612 -1.210827 2.346364
C 4.258497 -0.187284 1.944950
C 5.083533 0.265651 -0.313409
C 3.022534 -0.200329 2.855406
C 3.702547 -0.271346 -2.357995
C 4.713027 0.700808 -1.739485
C 0.620100 -1.915854 0.351437
C -2.176741 2.288728 -0.126614
C -4.171048 -1.459063 -0.311971
C -0.995563 2.962491 0.602629
C -5.102701 -0.288246 0.059280
C 0.358925 2.481580 0.084745
C -1.117364 2.767802 2.115724
C -5.693936 0.347342 -1.200610
C -6.201530 -0.808160 0.992196
H 3.331442 -1.858144 -0.070544
H 1.160598 0.149979 0.870096
H 1.734691 -1.088438 -1.874651
H 1.951496 0.588975 -1.398761
H 1.088497 -1.185552 2.986340
H 2.394478 -2.237695 2.424518
H 4.787884 -1.162296 2.009009
H 4.969106 0.591995 2.297249
H 5.747714 1.031545 0.143268
H 5.657534 -0.685594 -0.347873
H 3.320974 -0.438968 3.892068
H 2.573778 0.813571 2.884639
H 4.166242 -1.263109 -2.512900
H 3.393715 0.082682 -3.359603
H 4.277699 1.720192 -1.711529
H 5.624584 0.765317 -2.359622
H 0.641000 -1.957055 -0.762003
H 0.841909 -2.940079 0.706347
H -2.052401 2.320815 -1.224766
H -3.138799 2.766303 0.149665
H -3.786167 -1.989683 0.576517
H -4.678626 -2.192455 -0.973323
H -1.080005 4.059155 0.377021
H -4.511462 0.492154 0.609327
H 0.355853 2.310029 -1.000319
H 1.151952 3.204999 0.302128
H 0.678250 1.530872 0.552988
H -0.245095 3.168363 2.641856
H -2.009271 3.258180 2.517406
H -1.196504 1.700280 2.367686
H -6.396613 -0.323414 -1.706987
H -4.902694 0.585978 -1.924518
H -6.229204 1.273052 -0.968933
H -6.799589 -1.598039 0.524755
H -6.892928 -0.002047 1.265461
H -5.786803 -1.207998 1.924084


%chk=000188059-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000188059

0 1
S -1.023808 -1.102598 1.146070
P -1.705887 0.167274 -0.656129
O -2.485659 1.518029 0.099414
O -3.018396 -0.681048 -1.393252
O -0.565928 0.525499 -1.707338
N 4.192489 -0.158188 0.221580
C 3.077083 -1.089791 -0.139666
C 1.791258 -0.698036 0.662827
C 2.826227 -1.042142 -1.669720
C 2.073610 -0.650818 2.182381
C 4.482799 -0.140494 1.677568
C 5.438208 -0.434892 -0.542862
C 3.252578 0.289829 2.490617
C 4.106642 -1.295139 -2.492976
C 5.217346 -0.318668 -2.059543
C 0.631460 -1.658971 0.348818
C -2.002270 2.907482 -0.191924
C -4.019855 -1.436703 -0.588720
C -1.462477 3.576550 1.083470
C -5.107367 -0.544080 0.038042
C -0.172937 2.894460 1.594669
C -2.546396 3.649442 2.183657
C -5.877196 0.249061 -1.039729
C -6.054774 -1.442355 0.871043
H 3.359411 -2.144911 0.143815
H 1.506419 0.315746 0.317537
H 2.066562 -1.796080 -1.945808
H 2.403217 -0.051342 -1.923392
H 1.161916 -0.327188 2.719866
H 2.316831 -1.675161 2.539383
H 4.821856 -1.150869 2.035617
H 5.320790 0.562098 1.847279
H 6.204290 0.291171 -0.209938
H 5.832467 -1.461247 -0.309983
H 3.494475 0.272852 3.570718
H 2.983737 1.329223 2.220362
H 4.454463 -2.337506 -2.333040
H 3.887146 -1.190945 -3.572415
H 4.919486 0.719333 -2.302746
H 6.164800 -0.533370 -2.590702
H 0.434096 -1.738845 -0.730129
H 0.795525 -2.668657 0.767141
H -1.231730 2.864280 -0.985286
H -2.896142 3.437484 -0.567400
H -3.486851 -2.026260 0.184572
H -4.457875 -2.125640 -1.333178
H -1.209074 4.614951 0.773972
H -4.612626 0.178597 0.717285
H 0.601805 2.851413 0.806041
H 0.245389 3.449541 2.454023
H -0.383079 1.860936 1.926497
H -2.159594 4.165279 3.081327
H -3.441420 4.197215 1.832935
H -2.862646 2.632632 2.476504
H -6.428355 -0.435938 -1.713326
H -5.184366 0.849577 -1.654211
H -6.611019 0.931737 -0.573735
H -6.553453 -2.195539 0.230705
H -6.844133 -0.832042 1.345285
H -5.512868 -1.978328 1.673032


