%chk=000189839.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000189839

0 1
S -5.013958 -1.487661 1.443251
O 0.490377 1.357374 -0.598346
O -0.981546 4.567545 -0.654189
N -2.505200 1.216626 -0.200899
C -1.032724 3.128930 -0.702810
C -2.235724 2.647455 0.131600
C 0.328847 2.722579 -0.111756
C -3.513888 0.618853 0.732411
C 1.605080 0.653141 -0.199316
C 1.612452 -0.688094 -0.731967
C 2.702134 -1.526581 -0.383650
C -3.727794 -0.838636 0.328735
C 2.609825 1.130517 0.611343
C 0.579634 -1.180565 -1.583428
C 3.741382 -1.022294 0.464493
C 2.729989 -2.861699 -0.896088
C 3.690820 0.263670 0.938920
C 0.633344 -2.467423 -2.062024
C 1.721762 -3.316026 -1.711584
C -5.145041 -3.208888 0.911811
H -1.115181 2.791063 -1.763136
H -2.059062 2.839914 1.211703
H -3.138044 3.240367 -0.140737
H 0.345485 2.727425 0.989664
H 1.143341 3.353323 -0.512288
H -1.621718 0.683716 -0.147946
H -3.212945 0.691933 1.802149
H -4.462801 1.195013 0.623798
H -2.800923 -1.432643 0.423104
H -4.053631 -0.911839 -0.726906
H 2.612113 2.139727 1.006360
H -0.241492 -0.509030 -1.844802
H 4.568447 -1.680471 0.719894
H -1.680227 4.952633 -1.219955
H 3.565341 -3.505930 -0.627670
H 4.481864 0.651634 1.581580
H -0.146684 -2.853844 -2.714580
H 1.740176 -4.332112 -2.104830
H -4.204746 -3.752760 1.049325
H -5.912296 -3.691735 1.532613
H -5.453787 -3.291308 -0.135447


%chk=000189839-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000189839

0 1
S -5.203909 -1.600213 1.319262
O 0.414792 1.297742 -0.506219
O -0.979439 4.670821 -0.421285
N -2.472224 1.220862 -0.003407
C -1.078174 3.207447 -0.582262
C -2.176775 2.625520 0.336581
C 0.344703 2.743058 -0.240376
C -3.543024 0.602024 0.804464
C 1.634685 0.642015 -0.269500
C 1.645938 -0.758326 -0.617914
C 2.852676 -1.517433 -0.368845
C -3.870201 -0.791402 0.244446
C 2.766238 1.263662 0.270722
C 0.511595 -1.409759 -1.201730
C 3.999615 -0.862530 0.194099
C 2.866035 -2.912767 -0.700687
C 3.952029 0.497268 0.498194
C 0.559725 -2.771252 -1.516036
C 1.744336 -3.530458 -1.258995
C -5.371447 -3.218765 0.375057
H -1.316419 2.928768 -1.629902
H -1.870898 2.783238 1.402083
H -3.105413 3.215870 0.183473
H 0.563039 2.951588 0.826306
H 1.073445 3.282437 -0.874911
H -1.609140 0.659731 -0.014768
H -3.284186 0.514512 1.888864
H -4.443441 1.243669 0.740106
H -2.974663 -1.441152 0.260999
H -4.242004 -0.708727 -0.790728
H 2.761147 2.326332 0.527500
H -0.384300 -0.819813 -1.418181
H 4.909814 -1.444198 0.377569
H -1.848288 5.080762 -0.659870
H 3.778941 -3.489407 -0.509735
H 4.828609 0.998055 0.923260
H -0.309780 -3.260399 -1.968865
H 1.769726 -4.597071 -1.508201
H -4.416703 -3.769471 0.384498
H -6.141327 -3.809639 0.895433
H -5.692335 -3.028698 -0.662100


