%chk=000250998.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000250998

0 1
S -2.246562 1.868624 -0.035263
O 2.807446 0.970957 -0.004727
N -2.476609 -0.731559 0.035981
N -0.347131 -2.760329 0.000961
C -1.093357 -0.438456 0.017070
C -0.757073 0.942581 -0.017413
C -0.049773 -1.410330 0.031856
C 1.553665 0.417307 0.001871
C 0.541125 1.405727 -0.026080
C 1.290231 -0.958114 0.035647
C -3.204516 0.342926 0.011740
C 3.955874 0.086997 0.010662
H 0.802617 2.458208 -0.052003
H 2.097826 -1.678052 0.051339
H -4.284470 0.389412 0.018065
H 0.362886 -3.446397 0.175786
H -1.306753 -3.060936 0.098726
H 3.960713 -0.543909 -0.882801
H 3.966792 -0.503181 0.931274
H 4.787868 0.803724 -0.008389


%chk=000250998-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000250998

0 1
S -2.336842 1.909544 -0.035338
O 2.860931 1.007349 -0.014775
N -2.458181 -0.774310 0.033936
N -0.373344 -2.742467 0.086514
C -1.093474 -0.434398 0.025451
C -0.787799 0.959533 -0.011337
C -0.040793 -1.398876 0.050244
C 1.562693 0.469220 -0.000089
C 0.529470 1.441600 -0.024664
C 1.297705 -0.925930 0.036474
C -3.225038 0.291729 0.003560
C 3.991326 0.078638 0.007713
H 0.788809 2.501115 -0.052197
H 2.117355 -1.650010 0.054157
H -4.314571 0.285526 0.002935
H 0.335256 -3.468688 0.101637
H -1.360124 -2.993747 0.091711
H 3.989889 -0.581749 -0.881433
H 3.991138 -0.536660 0.928649
H 4.886392 0.717782 -0.008845


