%chk=000250572.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000250572

0 1
S -2.355314 -1.527138 -0.524244
O -2.784915 -2.885698 -0.247752
O -1.743396 -1.245136 -1.808959
N -1.202457 -1.165939 0.736955
N 1.615990 -0.899901 -0.012319
C -0.215982 -2.257952 0.963913
C 0.899486 -2.211038 -0.095777
C -0.552165 0.123497 0.657040
C 0.805042 0.249667 0.229657
C 2.665978 -0.762355 -1.069998
C -1.269478 1.252122 1.074359
C 1.373847 1.539013 0.185417
C -3.652481 -0.423951 -0.241689
C 3.979224 -0.287246 -0.487367
C -0.683618 2.518209 1.019200
C 0.632652 2.655487 0.570524
C -3.794381 0.705287 -1.055541
C -4.570510 -0.675411 0.783067
C 4.836584 0.478535 -1.293829
C 4.370677 -0.625768 0.815072
C -4.852157 1.592314 -0.836521
C -5.627972 0.212312 1.003058
C 6.074265 0.896632 -0.798778
C 5.608396 -0.201111 1.306337
C -5.766707 1.345254 0.193499
C 6.463098 0.558275 0.501499
H 0.209917 -2.130210 1.987230
H -0.735369 -3.244994 0.956091
H 1.645856 -3.012580 0.100722
H 0.476406 -2.393427 -1.112184
H 2.846879 -1.749257 -1.559486
H 2.328476 -0.081907 -1.887195
H -2.287321 1.140860 1.449732
H 2.409358 1.670821 -0.128387
H -1.249082 3.391478 1.333686
H 1.091313 3.642930 0.528238
H -3.079536 0.892632 -1.866244
H -4.468182 -1.568292 1.409220
H 4.542997 0.749306 -2.305844
H 3.700485 -1.209199 1.447767
H -4.964250 2.472272 -1.468440
H -6.343991 0.019138 1.800614
H 6.736825 1.488793 -1.427597
H 5.906042 -0.462972 2.320380
H -6.592545 2.037341 0.364526
H 7.426517 0.886109 0.885451


%chk=000250572-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000250572

0 1
S -2.512775 -1.100290 -0.713992
O -2.622903 -2.753144 -0.666336
O -2.244892 -0.329877 -2.148415
N -0.877264 -0.542171 0.835468
N 1.701942 -0.689369 -0.515305
C -0.093520 -1.803949 0.784112
C 0.856483 -1.904886 -0.424103
C -0.206824 0.583770 0.372247
C 1.115306 0.538818 -0.244831
C 2.995810 -0.787504 -1.211910
C -0.829298 1.855528 0.591037
C 1.773117 1.775386 -0.527852
C -4.153962 -0.431363 -0.055080
C 4.222087 -0.434869 -0.362140
C -0.183983 3.049277 0.262362
C 1.130651 2.998681 -0.289208
C -4.585475 0.822457 -0.521241
C -4.874228 -1.210602 0.865614
C 5.424936 -0.050574 -1.005789
C 4.197474 -0.529855 1.049428
C -5.813267 1.321399 -0.026822
C -6.099202 -0.694499 1.348996
C 6.587502 0.224265 -0.251623
C 5.357969 -0.251546 1.806145
C -6.562956 0.567838 0.907461
C 6.557665 0.123713 1.158837
H 0.465542 -1.863395 1.740866
H -0.805403 -2.650694 0.750197
H 1.512781 -2.785853 -0.311423
H 0.262038 -2.033889 -1.352394
H 3.093129 -1.833948 -1.557158
H 2.988250 -0.160552 -2.127958
H -1.822319 1.849441 1.053884
H 2.785888 1.775481 -0.939284
H -0.670658 4.013056 0.440509
H 1.653887 3.930380 -0.532262
H -3.992569 1.365423 -1.264899
H -4.501161 -2.193830 1.169340
H 5.454021 0.034208 -2.100036
H 3.264229 -0.806815 1.552356
H -6.183408 2.291560 -0.375269
H -6.689427 -1.278890 2.062857
H 7.511068 0.520718 -0.761414
H 5.324902 -0.323356 2.899117
H -7.513555 0.960353 1.285116
H 7.456873 0.340772 1.745898


