%chk=000238038.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000238038

0 1
S 0.271077 -0.482705 0.879720
O -0.065520 0.436555 1.946505
O 0.073850 -1.912723 1.069736
N -0.638131 -0.026056 -0.525627
N 5.803942 0.410791 -0.984067
C -2.066623 0.132758 -0.359894
C -2.949373 -0.946564 -0.606606
C -2.570116 1.399671 0.016346
C 1.876196 -0.219079 0.338924
C -4.330787 -0.735976 -0.507340
C -3.959547 1.575013 0.114996
C -2.424358 -2.301841 -0.949588
C -1.653483 2.533042 0.332159
C -4.830324 0.518584 -0.151009
C 2.349306 1.084764 0.129858
C 2.734701 -1.309809 0.131317
C 3.652788 1.310837 -0.290446
C 4.042928 -1.116895 -0.287880
C 4.513403 0.204032 -0.507726
H -0.424867 -0.540152 -1.393171
H -5.018185 -1.556549 -0.699848
H -4.358779 2.544483 0.405459
H -1.933315 -2.318161 -1.929882
H -1.686340 -2.645871 -0.195881
H -3.213454 -3.064552 -0.973220
H -1.101326 2.315432 1.270007
H -0.901616 2.674708 -0.455976
H -2.177970 3.483749 0.473405
H 1.684565 1.938942 0.303551
H 2.365975 -2.329582 0.308609
H -5.905983 0.670508 -0.074410
H 4.007140 2.323931 -0.454190
H 4.697469 -1.968170 -0.448612
H 6.468756 -0.343639 -0.980503
H 6.198698 1.335623 -0.983316


%chk=000238038-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000238038

0 1
S 0.312217 -0.934558 0.800284
O -0.243340 -0.027713 2.037532
O 0.398683 -2.572117 0.900461
N -0.830701 -0.477460 -0.853277
N 5.857760 1.007162 -0.675366
C -2.149884 -0.064759 -0.522558
C -3.243687 -1.001070 -0.501235
C -2.369559 1.329749 -0.266866
C 2.009344 -0.324671 0.336608
C -4.548051 -0.511681 -0.281894
C -3.693690 1.771586 -0.039865
C -2.997889 -2.486191 -0.705993
C -1.214730 2.306267 -0.232831
C -4.775738 0.865689 -0.051317
C 2.356101 1.012253 0.606159
C 2.906125 -1.232984 -0.256174
C 3.646045 1.454887 0.270058
C 4.195339 -0.786396 -0.592557
C 4.583406 0.565495 -0.340718
H -0.825743 -1.433599 -1.265454
H -5.390253 -1.213214 -0.274139
H -3.874558 2.836684 0.145993
H -2.635066 -2.713375 -1.729049
H -2.246389 -2.878917 0.004880
H -3.930899 -3.055659 -0.562506
H -0.762077 2.315796 0.777726
H -0.426763 2.004908 -0.944145
H -1.550960 3.331364 -0.465833
H 1.640722 1.680996 1.095122
H 2.604746 -2.272809 -0.419237
H -5.794727 1.227811 0.125582
H 3.937101 2.490207 0.481598
H 4.910262 -1.482031 -1.046852
H 6.533487 0.378826 -1.100670
H 6.144062 1.964626 -0.492064


