%chk=000238853.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000238853

0 1
S 0.778935 0.208625 -0.280239
O 7.559809 1.349561 1.474288
O 7.800087 1.181887 -0.668265
N -4.165090 0.685144 -0.694286
N -2.103692 1.713401 -0.615869
N -3.418522 -1.683325 -0.400979
N -0.943583 -1.840846 -0.201723
N -2.338024 -3.748308 -0.010959
N 7.158998 1.045779 0.361832
C -5.632383 0.538377 -0.722948
C -6.245247 0.858867 0.648985
C -7.774274 0.744581 0.603229
C -3.230759 -0.331543 -0.506804
C -1.936251 0.326935 -0.470772
C -3.418420 1.912970 -0.736360
C -0.812703 -0.507882 -0.315430
C -8.397033 1.062354 1.959955
C 1.885034 -1.221312 -0.052722
C -2.243109 -2.382819 -0.228365
C 3.247539 -0.627791 0.053748
C 3.757281 -0.253129 1.310374
C 4.028136 -0.442049 -1.101851
C 5.033112 0.295975 1.415984
C 5.305210 0.106244 -1.006702
C 5.803326 0.469686 0.254784
H -6.043163 1.209749 -1.510608
H -5.878540 -0.510419 -1.022428
H -5.948390 1.873423 0.978772
H -5.835737 0.167374 1.414338
H -8.185245 1.429402 -0.164727
H -8.067931 -0.277469 0.289729
H -3.911728 2.866386 -0.865589
H -9.489439 0.976087 1.923911
H -8.041829 0.377722 2.739577
H -8.160568 2.081276 2.288078
H 1.780495 -1.929819 -0.900728
H 1.588988 -1.801323 0.847449
H 3.149725 -0.385157 2.207403
H 3.631610 -0.721071 -2.079465
H 5.440954 0.593085 2.388772
H 5.922556 0.257232 -1.899428
H -3.217442 -4.208872 -0.195303
H -1.502194 -4.309887 -0.071660


%chk=000238853-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000238853

0 1
S 0.678626 0.406771 -2.413550
O 5.142637 0.434936 3.476643
O 6.790835 0.871325 1.961154
N -4.190716 0.584736 -1.114773
N -2.430195 1.583367 -2.215262
N -3.045666 -1.422948 -0.241562
N -0.670137 -1.473185 -0.887839
N -1.630201 -3.187038 0.390918
N 5.589374 0.504896 2.265732
C -5.534532 0.385755 -0.541266
C -5.637328 0.873037 0.921573
C -7.048736 0.644635 1.508684
C -3.091413 -0.249958 -0.923605
C -2.006632 0.382137 -1.615318
C -3.730335 1.668029 -1.891166
C -0.767361 -0.301988 -1.562149
C -7.158020 1.115697 2.974628
C 1.985544 -0.940970 -2.047839
C -1.796749 -1.988939 -0.267438
C 2.923574 -0.554852 -0.931246
C 2.485173 -0.607826 0.421278
C 4.254630 -0.144886 -1.208505
C 3.351071 -0.262357 1.473171
C 5.136708 0.206588 -0.168197
C 4.669940 0.141468 1.162332
H -6.260708 0.920590 -1.181121
H -5.764129 -0.694100 -0.594109
H -5.380837 1.949862 0.970408
H -4.887866 0.332879 1.531042
H -7.799275 1.179244 0.890904
H -7.301669 -0.433330 1.446836
H -4.393593 2.478003 -2.188770
H -8.172566 0.944373 3.377626
H -6.441539 0.573027 3.618980
H -6.936717 2.195818 3.062798
H 2.507352 -1.088277 -3.005564
H 1.387026 -1.831904 -1.791213
H 1.456337 -0.919508 0.630077
H 4.600746 -0.099461 -2.247269
H 3.034578 -0.297595 2.518872
H 6.164382 0.524494 -0.362475
H -2.427621 -3.609222 0.857871
H -0.723489 -3.644219 0.375707


