%chk=000254306.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000254306

0 1
S -3.498020 -0.644904 -0.782705
S -3.661550 0.707436 -2.324947
O 0.847234 -2.784899 0.375207
O 4.248346 1.807098 0.534556
O 1.687025 -2.175335 2.390986
O 2.103530 2.339017 0.031442
O -2.173169 0.390361 -3.032472
O -4.638514 0.256799 -3.258174
O -3.607130 2.034152 -1.819021
N 0.185348 0.146017 0.712103
C 1.503055 -0.530691 0.537355
C 2.632438 0.263374 1.211198
C -0.826701 -0.300756 -0.296841
C 1.371440 -1.880554 1.266955
C -2.195064 0.078612 0.263707
C 2.900273 1.569258 0.519161
C 0.548104 -4.137272 0.852525
C 4.741304 3.050820 -0.066792
C -0.753042 -4.126059 1.625436
C 4.735160 2.931460 -1.575081
H 1.764212 -0.728241 -0.538209
H 2.372941 0.463455 2.282403
H 3.561341 -0.350416 1.269975
H 0.306976 1.172377 0.661809
H -0.749956 -1.409761 -0.429452
H -0.666345 0.149419 -1.305600
H -2.321252 1.177471 0.360347
H -2.336907 -0.337155 1.286827
H 1.401484 -4.491894 1.457528
H 0.485691 -4.686444 -0.104549
H 5.757636 3.095376 0.366606
H 4.117840 3.885943 0.298779
H -1.071139 -5.141191 1.891621
H -0.655160 -3.555528 2.561805
H -1.563296 -3.661736 1.048423
H 5.239169 3.784414 -2.046163
H 5.241536 2.017878 -1.912167
H 3.707589 2.900274 -1.968792
H -2.134328 0.363926 -4.002489


%chk=000254306-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000254306

0 1
S -3.167656 -1.022095 -1.340633
S -3.899961 1.083131 -2.398068
O 1.036180 -2.995111 0.640926
O 4.303564 1.771617 0.518769
O 1.613270 -2.073559 2.707641
O 2.054449 2.378970 0.445436
O -2.954590 0.861517 -3.987600
O -5.468345 1.180834 -2.779032
O -3.216859 2.300173 -1.569049
N 0.406955 -0.002133 0.459569
C 1.705662 -0.680270 0.639322
C 2.710614 0.210204 1.414648
C -0.488129 -0.464767 -0.607644
C 1.469491 -1.963852 1.470280
C -1.948512 -0.221340 -0.166872
C 2.954183 1.549293 0.745050
C 0.646927 -4.281667 1.311852
C 4.676922 3.079785 -0.119496
C -0.796579 -4.214492 1.815656
C 4.603213 2.975227 -1.644241
H 2.142587 -0.985858 -0.337328
H 2.296526 0.389346 2.424730
H 3.664566 -0.324405 1.537374
H 0.470851 1.020286 0.569217
H -0.320552 -1.544572 -0.760162
H -0.312485 0.040301 -1.582955
H -2.182803 0.863628 -0.150316
H -2.143610 -0.628484 0.842219
H 1.355537 -4.467527 2.137744
H 0.778954 -5.032553 0.517237
H 5.704095 3.251413 0.238457
H 3.998611 3.860496 0.266430
H -1.087132 -5.194532 2.236981
H -0.901592 -3.456328 2.609693
H -1.493246 -3.975864 0.993181
H 4.966851 3.916200 -2.096831
H 5.234392 2.149472 -2.015165
H 3.564772 2.814333 -1.978488
H -3.369022 1.475286 -4.665234


