%chk=000253489.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000253489

0 1
S 5.394928 0.508958 -0.266618
O -1.228076 -0.197999 1.507561
O -3.048107 -1.074234 -0.977691
O -2.828570 1.215754 -0.800909
N 0.527355 1.117269 0.661266
N 1.229387 -1.248561 0.027383
N 2.592288 2.100327 0.498599
N 3.608948 -1.394578 -0.479316
C -1.652529 -0.846823 -0.768366
C -1.505754 0.698966 -0.696376
C -1.232944 -1.361459 0.630243
C -0.938988 0.971611 0.733691
C -3.810553 0.135379 -0.680759
C 0.149946 -2.023257 0.698095
C 1.439272 0.111407 0.319799
C -4.348633 0.085739 0.731276
C -4.821413 0.324445 -1.786412
C 1.303719 2.324346 0.768026
C 2.715213 0.738225 0.207605
C 2.438621 -1.944995 -0.349503
C 3.881171 -0.030962 -0.171579
H -1.139671 -1.346230 -1.610876
H -0.928087 1.176836 -1.510760
H -2.012046 -2.020723 1.079090
H -1.413310 1.820183 1.275584
H 0.405814 -2.172808 1.778714
H 0.098868 -3.033395 0.227518
H -4.958182 0.970035 0.958197
H -4.972273 -0.803422 0.889729
H -3.538038 0.052191 1.476347
H -4.425792 -0.034658 -2.749072
H -5.754145 -0.218861 -1.593317
H -5.064311 1.389486 -1.915925
H 0.851581 3.266501 1.039697
H 2.295914 -3.010694 -0.588541


%chk=000253489-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000253489

0 1
S 5.448811 0.554647 -0.561665
O -1.281496 -0.169989 1.611680
O -3.034552 -1.078087 -1.027798
O -2.834758 1.259057 -0.747011
N 0.585394 1.095875 0.735298
N 1.266942 -1.263459 0.175600
N 2.612874 2.108006 0.387471
N 3.586477 -1.431300 -0.563660
C -1.629377 -0.834433 -0.701777
C -1.484468 0.723262 -0.614360
C -1.227449 -1.358366 0.705629
C -0.884458 0.978685 0.803301
C -3.832583 0.141726 -0.710144
C 0.153752 -2.029333 0.795448
C 1.482612 0.101491 0.351484
C -4.467091 0.044644 0.683076
C -4.832713 0.356302 -1.841468
C 1.336882 2.297377 0.738824
C 2.732422 0.728122 0.128149
C 2.408111 -1.952461 -0.311186
C 3.880909 -0.047289 -0.322979
H -1.027192 -1.290514 -1.504023
H -0.858739 1.171564 -1.403335
H -1.985365 -2.063976 1.082980
H -1.291919 1.887811 1.269782
H 0.376466 -2.200912 1.866869
H 0.113966 -3.011339 0.288989
H -5.037129 0.965761 0.894632
H -5.160659 -0.813303 0.719231
H -3.696008 -0.076892 1.461757
H -4.303688 0.416788 -2.805512
H -5.548251 -0.482654 -1.875457
H -5.392166 1.292605 -1.678120
H 0.886420 3.249552 1.010785
H 2.249627 -3.024968 -0.480090


