%chk=000216888.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000216888

0 1
S 5.001846 -0.917047 -1.939424
O -6.000094 -0.930733 -0.769808
O -0.645903 0.439978 2.113798
O 0.650448 0.062240 -1.868893
N -3.677877 0.372101 0.249580
N -0.915373 0.508573 -0.168435
N 1.995977 -0.247758 -2.020351
C -3.970989 -1.060537 0.590705
C -4.957160 1.129089 0.044145
C -4.785600 -1.677693 -0.557248
C -5.744110 0.450097 -1.089993
C -2.848714 1.008882 1.316126
C -1.381703 0.610506 1.166176
C 0.403546 0.183110 -0.480063
C 1.562929 -0.047048 0.220933
C 2.560459 -0.318919 -0.797287
C 3.949351 -0.622458 -0.580811
C 4.647373 -0.729792 0.593109
C 6.036759 -1.051202 0.391912
C 6.378660 -1.183982 -0.922303
H -4.526202 -1.172456 1.547539
H -3.007123 -1.602076 0.705844
H -4.710255 2.173483 -0.242801
H -5.584758 1.174116 0.960618
H -4.210967 -1.711624 -1.499703
H -5.165890 -2.683607 -0.303965
H -6.763043 0.864030 -1.194049
H -5.207048 0.505803 -2.053460
H -2.908745 2.120801 1.237636
H -3.166992 0.759951 2.356524
H -1.582132 0.586757 -0.951722
H 1.707825 -0.032094 1.285601
H 4.223682 -0.592530 1.579310
H 6.718027 -1.169262 1.224051
H 7.344396 -1.418999 -1.336888


%chk=000216888-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000216888

0 1
S 4.849680 -1.207434 -2.064847
O -5.896460 -0.753807 -1.078569
O -0.557041 0.675207 2.377320
O 0.357460 -0.485075 -1.659154
N -3.645386 0.340850 0.386960
N -1.021598 0.195895 0.119327
N 1.780240 -0.757580 -1.946474
C -4.091325 -1.070717 0.592543
C -4.791187 1.202110 -0.025802
C -4.757640 -1.599720 -0.688611
C -5.436956 0.626648 -1.297705
C -2.875586 0.868771 1.538234
C -1.367989 0.562618 1.417171
C 0.258327 -0.099191 -0.316124
C 1.504940 -0.102944 0.285252
C 2.412907 -0.515838 -0.759164
C 3.853230 -0.678282 -0.647914
C 4.654857 -0.470934 0.473071
C 6.052661 -0.721072 0.241971
C 6.328211 -1.121513 -1.057192
H -4.813310 -1.134941 1.439901
H -3.212019 -1.693843 0.842671
H -4.417280 2.223149 -0.228047
H -5.560423 1.262492 0.779224
H -4.013510 -1.634578 -1.513908
H -5.175366 -2.606638 -0.528837
H -6.336365 1.198388 -1.577836
H -4.704361 0.651468 -2.133492
H -2.977677 1.970150 1.574953
H -3.220158 0.481526 2.520667
H -1.843661 0.152305 -0.516115
H 1.721295 0.152511 1.316673
H 4.253662 -0.147635 1.436843
H 6.821368 -0.607800 1.009744
H 7.287062 -1.374845 -1.506330


