%chk=000265578.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000265578

0 1
S 1.631971 -0.501642 -0.461332
O -0.097116 -1.969259 -1.142444
O -1.456626 -2.946169 0.354324
O -3.063188 1.027129 1.119776
N -1.411948 0.407633 -0.322003
N 3.913233 0.553058 -1.300005
N 3.020123 1.380071 0.817398
C -0.837926 -0.556943 0.628630
C 0.595848 -0.214006 1.014714
C -0.883454 -1.954357 -0.009276
C -2.528093 1.187118 0.038879
C -2.971042 2.164873 -1.007317
C 3.013791 0.615890 -0.215705
H -1.489541 -0.585572 1.562500
H 0.685982 0.844342 1.355771
H 0.962450 -0.830088 1.858081
H -0.885817 0.566460 -1.180963
H -3.870934 2.701912 -0.660990
H -2.206643 2.924857 -1.220843
H -3.234590 1.676543 -1.955690
H -0.040186 -2.868624 -1.569882
H 4.858903 0.873683 -1.143339
H 3.871706 -0.241012 -1.924314
H 3.777099 2.034305 0.986131


%chk=000265578-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000265578

0 1
S 1.992462 -0.845656 -0.354453
O -1.864261 -2.150585 -1.053448
O -0.700244 -3.242644 0.629942
O -2.755086 1.114412 0.997215
N -1.020486 0.304142 -0.317561
N 3.740602 1.007497 -1.210354
N 2.346454 1.687847 0.670124
C -0.698985 -0.773893 0.604953
C 0.767996 -0.735830 1.084870
C -1.060703 -2.175300 0.086763
C -2.046507 1.198673 -0.053340
C -2.261969 2.280703 -1.103365
C 2.759058 0.856697 -0.238333
H -1.349797 -0.602387 1.491774
H 1.000541 0.237203 1.556864
H 0.984853 -1.582158 1.752203
H -0.455479 0.388631 -1.164375
H -3.278316 2.178730 -1.521659
H -2.204330 3.269457 -0.617407
H -1.530063 2.241249 -1.928136
H -2.091755 -3.087420 -1.304921
H 4.274280 1.872446 -1.271146
H 3.994855 0.237123 -1.827071
H 2.810882 2.611268 0.712962


