%chk=000225008.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000225008

0 1
S 0.047402 0.920635 0.356184
O 0.957887 -1.261200 -0.520999
O 2.041603 2.068910 -1.778292
O 4.558018 0.668056 -0.921045
O 3.089378 -0.808504 1.717127
O 0.232040 2.349073 0.076481
O 0.605120 0.421025 1.604794
O 1.878451 -4.220183 -0.367161
C 0.861279 0.078361 -1.011634
C 2.199846 0.716429 -1.410188
C 3.268978 0.554349 -0.301228
C 3.291524 -0.863963 0.320326
C 2.296209 -1.822769 -0.368571
C 2.019508 -3.076154 0.477191
C -1.607870 0.509032 0.219054
C -2.024620 -0.811053 0.439379
C -2.554677 1.496963 -0.082727
C -3.373480 -1.145375 0.347182
C -3.905481 1.168359 -0.176289
C -4.326931 -0.156051 0.041424
C -5.769750 -0.512457 -0.066455
H 0.208864 0.005302 -1.916099
H 2.580730 0.254531 -2.360316
H 3.176662 1.331777 0.491513
H 4.336516 -1.274934 0.238212
H 2.651257 -2.091835 -1.389574
H 1.118428 -2.945734 1.105089
H 2.883699 -3.334641 1.124237
H 1.605690 2.634690 -1.058491
H 4.660316 1.565450 -1.316623
H 2.180668 -0.432044 1.948852
H -1.286727 -1.585245 0.681546
H -2.231514 2.533781 -0.244738
H 1.066196 -4.145447 -0.910038
H -3.691419 -2.172938 0.518111
H -4.636137 1.940664 -0.413433
H -6.046977 -1.357553 0.580358
H -6.433377 0.322663 0.201312
H -6.024308 -0.803570 -1.098574


%chk=000225008-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000225008

0 1
S -0.024565 0.592499 0.451933
O 1.381784 -1.624515 -0.896651
O 1.822964 1.953109 -1.841633
O 4.541916 1.091143 -0.698285
O 3.034056 -0.856576 1.785174
O 0.274007 2.235111 0.381139
O 0.406490 -0.257453 1.810249
O 2.300232 -4.320664 -0.687859
C 1.093173 -0.342337 -1.267790
C 2.260295 0.621509 -1.462960
C 3.228715 0.626787 -0.245658
C 3.438576 -0.782343 0.396971
C 2.833568 -1.914094 -0.466179
C 2.751803 -3.271645 0.229473
C -1.883578 0.379104 0.298531
C -2.474967 -0.763976 0.862787
C -2.613048 1.384429 -0.358339
C -3.874932 -0.904501 0.743300
C -4.011578 1.217942 -0.463400
C -4.659491 0.073000 0.073591
C -6.159166 -0.105792 -0.071201
H 0.251123 -0.270163 -1.970537
H 2.839967 0.243807 -2.332692
H 2.820373 1.305395 0.531824
H 4.530648 -0.949085 0.401876
H 3.382647 -2.006788 -1.423649
H 2.110959 -3.191147 1.127302
H 3.762551 -3.569933 0.550954
H 1.292410 2.331442 -1.059853
H 4.435149 1.998822 -1.085339
H 2.049732 -0.621887 1.887093
H -1.865626 -1.492334 1.407216
H -2.110383 2.280988 -0.735614
H 1.372870 -4.110090 -0.966144
H -4.364704 -1.780656 1.183282
H -4.606669 1.991861 -0.961390
H -6.581672 -0.685318 0.767592
H -6.681487 0.865282 -0.116056
H -6.401142 -0.652536 -1.003161


