%chk=000247250.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000247250

0 1
S 3.156527 -1.856280 -1.072120
O 3.856444 -3.117167 -0.968342
O 3.675947 -0.821208 -1.947711
N -0.337381 2.376435 -1.747117
N -3.288454 -0.174608 1.012778
N -1.812946 1.140734 -0.328538
N -1.490781 -1.278543 -0.116735
N 0.158655 0.080814 -1.306520
N 0.542926 -2.243506 -0.880298
N 1.594197 -2.245270 -1.821062
N 2.181839 0.229807 4.363679
C 1.562864 4.402370 -0.795316
C -6.064306 -0.677670 0.187668
C 0.169987 4.248551 -0.168748
C 2.046951 3.090442 -1.424723
C -5.395913 0.685298 -0.037571
C -5.024688 -1.805620 0.231528
C -0.834246 3.664221 -1.176527
C 1.004867 2.511380 -2.392332
C -4.285794 0.938829 0.995143
C -3.921481 -1.506582 1.258955
C -0.651191 1.190611 -1.081529
C -2.197805 -0.105565 0.141537
C -0.304803 -1.108669 -0.791533
C 2.866573 -1.242637 0.493905
C 2.918401 -2.107122 1.600162
C 2.579168 0.115443 0.692331
C 2.677149 -1.638744 2.883584
C 2.331077 0.614118 1.964299
C 2.376326 -0.265765 3.074749
H 2.285376 4.740233 -0.028582
H 1.541358 5.199231 -1.564282
H -6.797630 -0.873967 -0.617387
H -6.643332 -0.662167 1.130975
H 0.225483 3.591291 0.721330
H -0.195624 5.226186 0.195900
H 3.002250 3.248997 -1.961583
H 2.273108 2.336979 -0.635892
H -6.146694 1.494984 0.015227
H -4.968155 0.733165 -1.059484
H -4.569635 -1.941599 -0.770439
H -5.511056 -2.767908 0.476141
H -0.987356 4.360220 -2.031143
H -1.829815 3.513569 -0.699940
H 1.346751 1.524320 -2.785548
H 0.868854 3.177579 -3.273297
H -3.773971 1.907091 0.790908
H -4.709391 1.006638 2.021655
H -4.338515 -1.477487 2.289922
H -3.145611 -2.307028 1.246280
H 0.052987 -3.156872 -0.872465
H 1.390232 -1.689555 -2.681314
H 3.156856 -3.167902 1.446976
H 2.542171 0.804805 -0.170797
H 2.724653 -2.315493 3.731045
H 2.108602 1.666958 2.105125
H 2.021147 -0.412233 5.121594
H 1.776049 1.142069 4.487082


%chk=000247250-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000247250

0 1
S 3.490988 -1.423380 -0.946894
O 4.664637 -2.566900 -0.917177
O 3.838966 0.102978 -1.472359
N -0.062751 2.407067 -1.794661
N -3.235437 -0.152897 0.595552
N -1.688703 1.164792 -0.604267
N -1.334470 -1.234657 -0.290711
N 0.250433 0.083826 -1.596764
N 0.573391 -2.201387 -1.278601
N 1.691765 -2.223092 -2.063918
N 1.546159 -0.976415 4.798276
C 1.411903 4.913053 -1.549552
C -6.104113 -0.579509 0.889810
C 0.058983 4.698313 -0.829269
C 2.140978 3.564534 -1.750443
C -5.538785 0.727138 0.283022
C -5.133291 -1.759588 0.644782
C -0.810279 3.665235 -1.584366
C 1.244509 2.541866 -2.485414
C -4.114240 1.014665 0.814198
C -3.715732 -1.428650 1.168313
C -0.517847 1.202897 -1.324831
C -2.064239 -0.064566 -0.118855
C -0.214003 -1.054926 -1.032502
C 2.851711 -1.287347 0.815678
C 3.048477 -2.377927 1.684403
C 2.234569 -0.095717 1.239225
C 2.611655 -2.273529 3.016735
C 1.800525 0.009186 2.571812
C 1.977000 -1.080225 3.479183
H 2.047015 5.614184 -0.976123
H 1.227536 5.382504 -2.538706
H -7.099392 -0.803625 0.462309
H -6.247111 -0.443718 1.982439
H 0.237860 4.332942 0.201182
H -0.499724 5.650833 -0.750964
H 3.071556 3.699371 -2.331995
H 2.436165 3.141728 -0.770430
H -6.194760 1.585223 0.524956
H -5.499403 0.640597 -0.820279
H -5.074528 -1.977172 -0.439446
H -5.498857 -2.675775 1.146761
H -1.089979 4.075338 -2.578074
H -1.731003 3.424059 -1.032589
H 1.729042 1.555437 -2.517366
H 1.057135 2.884709 -3.524766
H -3.655974 1.880242 0.313489
H -4.161354 1.222968 1.904880
H -3.744887 -1.328528 2.274701
H -2.989032 -2.211843 0.908002
H 0.331211 -3.064239 -0.786974
H 1.652470 -1.332503 -2.624809
H 3.568484 -3.272094 1.323953
H 2.122091 0.739022 0.539419
H 2.768494 -3.109396 3.708829
H 1.324787 0.934132 2.918782
H 1.687367 -1.738856 5.454561
H 1.111231 -0.124177 5.139457


