%chk=000248721.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000248721

0 1
S 1.252786 0.392499 0.971740
O 3.230328 -3.463812 -0.711540
O -1.321413 1.564444 0.319969
N 0.766589 -2.831018 0.617175
N -2.529414 -0.348353 -0.114968
N -2.576890 -1.674218 -0.319855
C 2.089915 -2.513533 1.221043
C 0.893389 -4.040620 -0.254484
C 3.150189 -2.292163 0.133664
C 1.975740 -3.808553 -1.326155
C -0.194773 -1.876810 0.295506
C -0.144869 -0.506119 0.465315
C -1.494958 -2.404077 -0.155113
C -1.293417 0.353852 0.263042
C -3.807326 0.343758 -0.268785
C 1.549437 1.546641 -0.418318
C 2.919302 2.077801 -0.168334
C -3.832706 1.616704 -0.861161
C -4.990201 -0.269093 0.179254
C 4.019046 1.569173 -0.878979
C 3.118246 3.090875 0.784633
C -5.056714 2.275333 -0.998746
C -6.203807 0.404158 0.024799
C -6.240947 1.673544 -0.561441
C 5.300580 2.071260 -0.638551
C 4.402523 3.586346 1.021349
C 5.495575 3.079099 0.311041
H 2.372816 -3.397523 1.845043
H 2.029417 -1.664336 1.934525
H -0.076230 -4.313617 -0.723385
H 1.180705 -4.896258 0.401312
H 2.943054 -1.405823 -0.491240
H 4.172814 -2.229968 0.547103
H 2.226888 -4.736397 -1.872062
H 1.688968 -3.015347 -2.038588
H -1.608977 -3.480545 -0.346163
H 0.768818 2.339803 -0.398839
H 1.451577 1.030442 -1.388597
H -2.908150 2.098482 -1.187684
H -4.965084 -1.258647 0.635332
H 3.875947 0.785626 -1.619774
H 2.269500 3.487494 1.342271
H -5.083664 3.266773 -1.450474
H -7.125794 -0.064513 0.367286
H -7.190269 2.193539 -0.674754
H 6.149743 1.675957 -1.193484
H 4.551785 4.370682 1.761924
H 6.494327 3.468157 0.496447


%chk=000248721-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000248721

0 1
S 1.559959 0.198812 0.622074
O 3.172578 -4.554858 0.149072
O -1.192905 1.587158 0.520110
N 0.845497 -2.847579 0.141554
N -2.481794 -0.278339 -0.171280
N -2.601404 -1.622090 -0.464166
C 1.749553 -2.907189 1.320118
C 0.839144 -4.120419 -0.615392
C 3.174863 -3.270692 0.877077
C 2.289327 -4.467518 -1.021033
C -0.202439 -1.927629 0.030994
C -0.071587 -0.541060 0.262748
C -1.519150 -2.389591 -0.358290
C -1.235498 0.346698 0.236890
C -3.745940 0.442918 -0.224677
C 1.579931 1.785682 -0.493166
C 2.923816 2.445362 -0.332031
C -3.804275 1.836230 -0.481472
C -4.944995 -0.294006 -0.043525
C 3.994756 2.143366 -1.213656
C 3.141436 3.381769 0.713164
C -5.061567 2.476718 -0.548565
C -6.190838 0.360448 -0.111113
C -6.258679 1.750732 -0.363064
C 5.251637 2.769915 -1.062411
C 4.397931 4.007505 0.867906
C 5.456824 3.703974 -0.020078
H 1.375288 -3.695506 2.010905
H 1.747184 -1.948990 1.861166
H 0.232256 -4.011836 -1.530926
H 0.421338 -4.950204 -0.003203
H 3.583640 -2.464586 0.233378
H 3.833398 -3.428856 1.746249
H 2.332072 -5.459909 -1.499822
H 2.666902 -3.694772 -1.724634
H -1.701883 -3.444847 -0.578000
H 0.736371 2.396045 -0.141981
H 1.401424 1.433516 -1.521194
H -2.886315 2.409551 -0.603614
H -4.886497 -1.369546 0.135989
H 3.838095 1.418846 -2.022248
H 2.320695 3.616474 1.401188
H -5.097648 3.553580 -0.746875
H -7.109626 -0.217813 0.036549
H -7.228248 2.258203 -0.412246
H 6.067630 2.532444 -1.754233
H 4.551039 4.731463 1.676080
H 6.431104 4.191525 0.097985


