%chk=000290454.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000290454

0 1
S -3.861805 -1.137634 -0.768421
O -1.396625 3.132477 0.053846
O 0.341778 2.445490 -1.217408
O 0.358600 -2.343978 1.580495
N -1.853358 0.532343 -0.216030
N -1.558076 -1.746711 0.467988
C 0.231811 -0.068417 0.834587
C -0.566507 0.867858 0.252972
C 1.630015 0.196730 1.299321
C -0.190060 2.336186 0.093870
C 2.623802 -0.237494 0.247305
C -0.257416 -1.472745 1.009297
C -2.262020 -0.801213 -0.100734
C 2.988031 0.633289 -0.789029
C 3.180201 -1.524020 0.306690
C 3.929456 0.229533 -1.739927
C 4.119805 -1.922062 -0.647004
C 4.502300 -1.044067 -1.666893
C -4.067068 -2.928186 -0.449907
C -1.804289 3.679929 1.321945
C 0.740736 3.785214 -1.594723
C -5.421617 -3.288898 -1.011232
H 1.811141 -0.368687 2.246091
H 1.784242 1.262023 1.562448
H 0.511775 2.706931 0.867224
H -2.416741 1.264376 -0.664747
H 2.517452 1.612577 -0.870668
H 2.856669 -2.218575 1.085885
H 4.212266 0.906860 -2.542897
H 4.550250 -2.920812 -0.598039
H 5.236686 -1.354961 -2.406073
H -3.239492 -3.490582 -0.929704
H -3.985023 -3.127513 0.638183
H -2.037732 2.876360 2.027542
H -2.711896 4.240717 1.059953
H -1.037356 4.352486 1.716668
H 1.035910 3.646088 -2.642956
H 1.585160 4.114865 -0.984969
H -0.111317 4.468622 -1.515062
H -6.242624 -2.743466 -0.524850
H -5.495576 -3.105811 -2.092780
H -5.624588 -4.360922 -0.860757


%chk=000290454-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000290454

0 1
S -3.972786 -0.969196 -0.915591
O -1.466503 3.263303 0.206919
O 0.164803 2.616715 -1.351562
O 0.330540 -2.302518 1.486345
N -1.877676 0.631599 -0.264168
N -1.616161 -1.656711 0.341594
C 0.211713 -0.005930 0.749473
C -0.598921 0.965299 0.197211
C 1.633390 0.220051 1.223364
C -0.257459 2.434731 0.008263
C 2.679564 -0.308492 0.231357
C -0.323785 -1.394617 0.894054
C -2.316700 -0.680750 -0.195004
C 2.803088 0.259484 -1.063051
C 3.543705 -1.367231 0.602493
C 3.787971 -0.211550 -1.959932
C 4.528639 -1.839554 -0.294795
C 4.657268 -1.260133 -1.577769
C -4.135795 -2.830212 -0.549948
C -1.771371 3.507413 1.626974
C 0.607706 3.994806 -1.648810
C -5.476402 -3.325424 -1.104547
H 1.755726 -0.317473 2.180368
H 1.818787 1.294339 1.413521
H 0.522963 2.768209 0.729894
H -2.462265 1.394411 -0.623909
H 2.116386 1.056654 -1.375228
H 3.426186 -1.834753 1.586295
H 3.873667 0.233878 -2.958079
H 5.187310 -2.663031 0.003912
H 5.419217 -1.627007 -2.275016
H -3.267769 -3.317155 -1.018787
H -4.049970 -2.946416 0.540976
H -2.002625 2.564381 2.160580
H -2.656021 4.161553 1.634565
H -0.926849 4.016636 2.133250
H 0.954046 3.969545 -2.692286
H 1.444352 4.288665 -0.982532
H -0.230378 4.702944 -1.536451
H -6.332267 -2.812469 -0.631121
H -5.544747 -3.182790 -2.197488
H -5.573676 -4.407006 -0.897832


