%chk=000247154.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000247154

0 1
S 2.469526 -2.165045 -0.217523
S -1.796655 -2.622438 0.205957
O 3.733290 -1.031389 -0.329986
O -1.916524 -1.030105 0.820826
O 2.445210 1.069728 1.953938
O -2.704310 0.484565 -1.873991
O 3.027629 -3.397227 -0.689760
O 1.383478 -1.553070 -0.983129
O -3.090109 -3.214983 0.434905
O -0.635978 -3.123805 0.909323
N 0.976079 1.511195 0.313098
N -1.819147 1.930580 -0.375345
C 0.519822 1.367214 -1.094642
C -0.101675 1.306087 1.329908
C -0.737229 2.218954 -1.363310
C -1.331737 2.173482 1.007336
C 3.508550 1.388283 -0.192079
C -3.808524 0.400709 0.267860
C 2.287182 1.293277 0.754089
C -2.721209 0.900860 -0.718359
C 3.574107 0.147095 -1.122739
C -3.162116 -0.539434 1.320779
C 3.454463 2.664784 -1.037902
C 4.765360 1.411349 0.690721
C -4.505187 1.575551 0.962015
C -4.846754 -0.383381 -0.548691
C 2.166668 -2.158851 1.462109
C -1.481231 -2.356903 -1.448005
H 0.304108 0.285937 -1.308356
H 1.328265 1.687055 -1.793379
H 0.298142 1.565870 2.339598
H -0.386690 0.224124 1.363691
H -0.503878 3.304238 -1.302210
H -1.112170 2.014337 -2.395298
H -2.140969 1.982552 1.748114
H -1.074769 3.255872 1.088855
H 2.698515 0.066137 -1.792313
H 4.497905 0.179097 -1.736475
H -3.839273 -1.374580 1.592799
H -2.876165 0.001152 2.243752
H 4.382467 2.807741 -1.604727
H 3.329590 3.551819 -0.402496
H 2.623490 2.660357 -1.758322
H 4.710837 2.198402 1.452436
H 4.870852 0.456548 1.230887
H 5.674895 1.560179 0.102782
H -5.348038 1.233613 1.575113
H -4.910486 2.284413 0.227094
H -3.827952 2.141922 1.616300
H -5.237799 0.215660 -1.381825
H -4.416369 -1.289603 -0.996488
H -5.695774 -0.698336 0.067165
H 2.262690 -1.160981 1.946134
H 2.820423 -2.822529 2.049910
H 1.128390 -2.495590 1.717598
H -2.021599 -1.486772 -1.892041
H -1.713763 -3.201862 -2.111151
H -0.406054 -2.109052 -1.659048


%chk=000247154-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000247154

0 1
S 2.574321 -2.251106 -0.303568
S -2.011011 -2.842902 0.305388
O 3.981154 -0.984562 -0.345658
O -1.981291 -1.033049 0.881445
O 2.537812 1.011524 1.987857
O -2.772721 0.576964 -1.975106
O 3.164919 -3.647609 -0.840748
O 1.302875 -1.570195 -1.071214
O -3.518499 -3.406526 0.509208
O -0.767144 -3.541203 1.068193
N 1.041848 1.568844 0.324053
N -1.773397 1.859702 -0.334586
C 0.560798 1.462711 -1.081624
C -0.017481 1.332653 1.347861
C -0.732815 2.271014 -1.305421
C -1.308947 2.120061 1.045491
C 3.590010 1.488122 -0.175724
C -3.881639 0.483547 0.217494
C 2.350476 1.341549 0.765439
C -2.757882 0.969238 -0.759884
C 3.702964 0.245606 -1.116166
C -3.280501 -0.471798 1.304976
C 3.590198 2.790113 -1.031717
C 4.856963 1.527104 0.723742
C -4.625319 1.673954 0.891200
C -4.925599 -0.309369 -0.616725
C 2.231792 -2.319500 1.563884
C -1.598793 -2.591929 -1.533958
H 0.369139 0.397007 -1.312493
H 1.329413 1.828039 -1.774021
H 0.391921 1.624708 2.327748
H -0.262552 0.253692 1.386271
H -0.543596 3.353523 -1.172340
H -1.110235 2.080750 -2.321803
H -2.066694 1.833048 1.785078
H -1.126324 3.207855 1.149113
H 2.796335 0.097962 -1.735141
H 4.575154 0.368834 -1.786603
H -3.991984 -1.297846 1.511042
H -3.068489 0.043896 2.259970
H 4.597953 2.941183 -1.459775
H 3.363867 3.662401 -0.393441
H 2.878233 2.792560 -1.873370
H 4.833807 2.405233 1.391424
H 4.924386 0.626612 1.350658
H 5.757453 1.588410 0.084231
H -5.400053 1.292001 1.582195
H -5.135104 2.280245 0.121800
H -3.965392 2.347420 1.462659
H -5.286024 0.289653 -1.468293
H -4.507694 -1.245358 -1.021907
H -5.782763 -0.574522 0.029699
H 2.227845 -1.272648 1.905451
H 3.064660 -2.898172 1.986172
H 1.253844 -2.823374 1.645400
H -2.276688 -1.803825 -1.895308
H -1.759807 -3.571607 -2.006359
H -0.541905 -2.275835 -1.536687


