%chk=000228178.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000228178

0 1
S 0.968888 1.784784 0.424727
O 1.003957 2.850475 -0.557826
O 1.208772 2.079439 1.815469
O -4.585535 -1.873901 0.683762
O -5.002777 -0.723962 -1.101619
N 2.000597 -0.648534 0.384199
N -4.303136 -1.033713 -0.153120
N 4.065035 -1.315126 -0.779790
N 2.763569 -2.899430 0.417114
C -0.561097 0.958799 0.259443
C 2.189587 0.597544 -0.104551
C -0.943893 0.010446 1.209896
C -1.394640 1.273810 -0.816893
C -2.995334 -0.331613 -0.005815
C -2.172557 -0.647620 1.081373
C -2.625160 0.625835 -0.959053
C 3.250081 0.958793 -0.924735
C 4.187159 -0.055108 -1.237814
C 2.952276 -1.590200 0.017230
H -0.287932 -0.225273 2.057293
H -1.091414 2.035547 -1.548736
H -2.491449 -1.395888 1.815004
H -3.293421 0.858163 -1.795590
H 3.360562 1.971831 -1.314744
H 5.062830 0.152289 -1.870139
H 2.082240 -3.103723 1.132456
H 3.516692 -3.561763 0.291657


%chk=000228178-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000228178

0 1
S 1.002598 1.702139 0.687307
O 1.101144 3.012633 -0.292074
O 1.179336 1.786363 2.306217
O -4.939487 -1.659702 0.579224
O -5.097517 -0.546756 -1.405753
N 2.356029 -0.757767 0.563102
N -4.479888 -0.853145 -0.315998
N 4.151585 -1.342021 -0.987452
N 3.410288 -2.859597 0.649219
C -0.678968 0.883556 0.356185
C 2.294663 0.423341 -0.042451
C -1.190890 0.021914 1.340426
C -1.359016 1.226625 -0.823547
C -3.143643 -0.236921 -0.076595
C -2.457011 -0.557558 1.115579
C -2.626086 0.648736 -1.047510
C 3.079320 0.856202 -1.117488
C 4.024404 -0.114432 -1.554300
C 3.305771 -1.630781 0.062248
H -0.623449 -0.167178 2.256702
H -0.916840 1.940030 -1.526734
H -2.916294 -1.238787 1.836134
H -3.212191 0.871597 -1.942565
H 2.973707 1.848768 -1.558093
H 4.703776 0.100994 -2.385499
H 2.815477 -3.091992 1.440792
H 4.107082 -3.514359 0.302123


