%chk=000270905.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000270905

0 1
S 1.191287 1.878384 -0.479738
O -2.694822 -1.696991 -1.205533
O -5.014653 -0.835638 0.332857
N -2.545540 3.011980 1.797644
N -1.500725 3.721294 1.859013
N 3.031491 -1.839283 1.328820
N 2.024582 -1.320156 1.886487
C -1.432463 1.376745 0.333292
C -2.584602 1.819897 1.054165
C -0.272798 2.204297 0.435904
C -1.502496 0.161905 -0.403295
C -2.674416 -0.564704 -0.414551
C -3.843424 -0.094513 0.291370
C -3.799293 1.072830 1.016664
C 3.025006 -0.118755 -0.432569
C 1.882850 0.436328 0.233076
C 3.591761 -1.285359 0.159046
C -0.319436 3.352395 1.192871
C 3.620981 0.402092 -1.619054
C 4.733258 -1.912132 -0.424161
C 1.409680 -0.166592 1.374807
C 4.720857 -0.217782 -2.165300
C 5.282888 -1.381468 -1.565637
C -3.032378 -2.928636 -0.503154
C -5.695322 -0.931301 -0.951591
H -0.637952 -0.203269 -0.963404
H -4.675249 1.436565 1.561956
H 0.524939 4.037829 1.328569
H 3.203726 1.291918 -2.093661
H 5.141765 -2.803274 0.058058
H 0.551610 0.187441 1.953723
H 5.182528 0.175361 -3.072479
H 6.155944 -1.841712 -2.029734
H -3.966323 -2.821719 0.060366
H -2.198612 -3.198459 0.152417
H -3.135118 -3.639915 -1.330464
H -6.068090 0.056627 -1.236415
H -6.520019 -1.615398 -0.720694
H -5.027121 -1.344529 -1.715072


%chk=000270905-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000270905

0 1
S 1.222364 2.049690 -0.514678
O -2.703820 -1.674598 -1.263189
O -5.043100 -0.866746 0.273181
N -2.641135 2.953078 1.960051
N -1.551583 3.744337 2.033874
N 3.119008 -1.780313 1.417870
N 2.094289 -1.151601 2.023667
C -1.454922 1.429712 0.350763
C -2.608467 1.814100 1.147925
C -0.315230 2.288319 0.476827
C -1.527293 0.252688 -0.448873
C -2.686764 -0.524554 -0.460186
C -3.857510 -0.111232 0.293453
C -3.799273 1.026471 1.093848
C 3.044113 -0.104975 -0.450440
C 1.954833 0.533505 0.234310
C 3.600318 -1.273144 0.202551
C -0.406421 3.406380 1.309938
C 3.602395 0.322764 -1.697067
C 4.695925 -1.968920 -0.399979
C 1.529189 -0.014202 1.448739
C 4.671692 -0.374899 -2.263534
C 5.224635 -1.525253 -1.612785
C -2.927903 -2.958413 -0.544119
C -5.722618 -0.946425 -1.046141
H -0.671739 -0.073068 -1.046852
H -4.669476 1.342650 1.675042
H 0.431706 4.094162 1.446496
H 3.185406 1.198397 -2.206712
H 5.088400 -2.844573 0.125939
H 0.719173 0.421315 2.037964
H 5.093982 -0.042344 -3.217818
H 6.063677 -2.055900 -2.074704
H -3.862623 -2.926723 0.041778
H -2.068112 -3.162697 0.119441
H -2.985580 -3.722064 -1.333202
H -6.077825 0.057626 -1.342697
H -6.579775 -1.617061 -0.888142
H -5.045634 -1.353186 -1.817940


