%chk=000263842.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000263842

0 1
S 1.641024 0.872017 -2.385519
O -2.135179 1.600561 -0.666450
O -0.666729 -0.451431 1.958875
O -2.340275 -1.370737 -1.080984
O -0.928344 2.481913 1.004401
O -5.199853 -0.017584 0.224418
O 1.329642 2.281752 -2.263022
O 1.693177 0.239646 -3.682049
O 1.184891 -1.744269 2.110581
O -3.219735 -3.215459 -0.114089
O 1.291264 2.558948 1.417608
O -5.707806 -1.486865 -1.422417
O 7.293471 -1.284619 0.366055
O 6.877157 0.381995 1.682097
N 0.430471 0.011407 -1.513119
N 6.620746 -0.336180 0.731176
C -0.728342 -0.668197 0.519582
C 0.028949 0.485454 -0.175406
C -2.234774 -0.726745 0.219269
C -2.906905 0.653067 0.124676
C -0.801547 1.791899 -0.289956
C -4.239214 0.651322 -0.637752
C 3.089366 0.532886 -1.487713
C 0.359059 -1.069487 2.669269
C -2.941456 -2.631242 -1.132235
C 0.161718 2.873987 1.728649
C 0.201901 -0.728021 4.105609
C 3.877565 -0.564710 -1.847131
C 3.449317 1.354817 -0.416933
C -3.147510 -2.997017 -2.550687
C -5.875149 -1.114404 -0.284392
C -0.286046 3.691633 2.887529
C 5.039055 -0.854543 -1.125586
C 4.608430 1.075849 0.315861
C 5.386986 -0.028312 -0.048805
C -6.755060 -1.665691 0.775824
H 0.954008 0.703286 0.440046
H -0.240320 -1.649539 0.277609
H -2.758717 -1.351436 0.991536
H -3.009878 1.081743 1.151430
H -0.412729 2.539528 -1.030511
H -0.357538 -0.406681 -2.037854
H -4.632370 1.676524 -0.768602
H -4.160310 0.144512 -1.621041
H -0.678511 -0.094241 4.299381
H 0.095307 -1.642933 4.713307
H 1.092768 -0.196759 4.480500
H 3.593525 -1.199062 -2.696599
H 2.830178 2.223671 -0.134838
H -4.187581 -2.734836 -2.846118
H -3.023452 -4.078710 -2.713210
H -2.477482 -2.460104 -3.240374
H -1.376141 3.637719 3.045098
H 0.214899 3.375174 3.814899
H -0.034311 4.754615 2.729442
H 5.669129 -1.711495 -1.388665
H 4.901126 1.706001 1.163754
H -6.828956 -1.005517 1.655295
H -7.773508 -1.841306 0.393191
H -6.368696 -2.639995 1.126685


%chk=000263842-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000263842

0 1
S 1.492547 0.738348 -2.427455
O -2.151081 1.658367 -0.572114
O -0.913505 -0.368934 2.180279
O -2.361312 -1.257355 -1.103114
O -0.876899 2.484229 1.230603
O -5.234020 -0.177612 0.311731
O 1.292376 2.358062 -2.444644
O 1.470321 -0.124037 -3.802917
O 1.225671 -1.276856 2.390269
O -3.368771 -3.199626 -0.281433
O 1.374362 3.069471 1.093665
O -5.765272 -1.259548 -1.693396
O 7.349988 -1.520663 0.217341
O 7.121246 0.410472 1.408979
N 0.265297 -0.121939 -1.352709
N 6.719408 -0.438851 0.525895
C -0.857316 -0.639575 0.718592
C -0.039975 0.456919 -0.024149
C -2.333822 -0.688124 0.272631
C -2.962627 0.712405 0.244144
C -0.805649 1.811430 -0.122148
C -4.347128 0.767954 -0.411736
C 3.091035 0.372655 -1.487259
C 0.213654 -0.779868 2.926225
C -2.940528 -2.546957 -1.255254
C 0.271829 3.134253 1.686444
C -0.019524 -0.551409 4.400039
C 3.774746 -0.808251 -1.820512
C 3.533124 1.309361 -0.538636
C -2.992321 -2.931800 -2.708181
C -5.880062 -1.172232 -0.450867
C -0.016609 3.916177 2.947042
C 4.985515 -1.076530 -1.151289
C 4.743093 1.032688 0.133059
C 5.441358 -0.151788 -0.185227
C -6.657547 -2.102810 0.445332
H 0.910248 0.615055 0.512769
H -0.357913 -1.609496 0.547826
H -2.901096 -1.351272 0.949019
H -2.996870 1.083262 1.285938
H -0.301294 2.490991 -0.830075
H -0.573269 -0.330302 -1.927782
H -4.779302 1.774335 -0.297946
H -4.291022 0.494790 -1.478160
H -0.622001 0.354694 4.569945
H -0.578026 -1.408841 4.818467
H 0.946072 -0.480478 4.922249
H 3.378119 -1.480098 -2.587807
H 2.958373 2.215945 -0.323892
H -3.924852 -2.515442 -3.133188
H -3.023049 -4.027254 -2.804647
H -2.140895 -2.517093 -3.269496
H -0.775762 3.408128 3.562335
H 0.913248 4.062728 3.516672
H -0.416911 4.909818 2.674124
H 5.572053 -1.974675 -1.359070
H 5.143200 1.712706 0.888825
H -6.968073 -1.600290 1.373370
H -7.531233 -2.498166 -0.094857
H -6.000643 -2.953274 0.707748


