%chk=000267652.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000267652

0 1
S 1.175302 -1.561915 0.721187
O 0.521670 -2.624616 -0.005294
O 1.281963 -1.693510 2.154846
O -5.580369 0.477651 -1.101408
O -4.115758 0.227274 -2.792318
N 0.238107 -0.105535 0.450370
C 2.662486 -1.161404 -0.004947
C 0.840092 1.167489 0.500730
C 3.080761 0.170000 -0.164594
C 2.235055 1.295533 0.256798
C -1.204150 -0.229107 0.528282
C -2.004517 0.059212 -0.609917
C 4.332912 0.412355 -0.771742
C 3.477056 -2.219927 -0.448955
C 0.061955 2.318591 0.793001
C -1.765333 -0.670459 1.730819
C 2.808650 2.581076 0.396576
C 5.144024 -0.638925 -1.200048
C -3.396545 -0.096356 -0.472388
C 4.707085 -1.972480 -1.036337
C -3.154935 -0.843969 1.836349
C 0.661571 3.562040 0.894011
C 2.049197 3.697495 0.709199
C -3.960897 -0.547992 0.734276
C -1.359111 0.511880 -1.871424
C 6.466992 -0.374491 -1.836476
C -3.746887 -1.339812 3.113585
C -4.317295 0.199121 -1.598897
C -6.611104 0.758321 -2.084849
H 4.668495 1.439545 -0.916189
H 3.131502 -3.254653 -0.337828
H -1.011072 2.217466 0.958627
H -1.121308 -0.892217 2.590370
H 3.887337 2.694432 0.251338
H 5.332485 -2.795410 -1.375152
H 0.059305 4.441597 1.127164
H -5.046949 -0.663063 0.801257
H 2.517337 4.673134 0.812625
H -2.043020 0.516482 -2.738900
H -0.949587 1.527933 -1.772923
H -0.522966 -0.149533 -2.151370
H 6.699937 0.695247 -1.922924
H 7.285148 -0.836103 -1.262226
H 6.512963 -0.795689 -2.852733
H -4.844498 -1.327874 3.108892
H -3.436017 -2.377760 3.312643
H -3.420351 -0.736470 3.973019
H -6.813240 -0.147792 -2.664304
H -6.288560 1.572245 -2.742447
H -7.462921 1.047044 -1.460975


%chk=000267652-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000267652

0 1
S 1.065605 -1.581750 0.755131
O 0.285599 -2.780968 -0.010484
O 1.301321 -1.698157 2.366346
O -5.721130 -0.140370 -1.350691
O -4.096580 0.375704 -2.925802
N 0.205933 0.109470 0.259868
C 2.649325 -1.174390 -0.140965
C 0.948828 1.227284 0.724536
C 3.121337 0.159367 -0.107356
C 2.379989 1.264812 0.549821
C -1.226330 0.027478 0.402746
C -2.037284 0.117456 -0.769648
C 4.352154 0.381970 -0.792627
C 3.302256 -2.234542 -0.788805
C 0.280784 2.353793 1.281379
C -1.781288 -0.195600 1.687221
C 3.075282 2.419361 0.995342
C 5.060443 -0.651849 -1.445743
C -3.451787 -0.003057 -0.576059
C 4.518333 -1.966505 -1.445346
C -3.175881 -0.342189 1.863609
C 0.999341 3.498284 1.673285
C 2.407319 3.529557 1.547077
C -3.992830 -0.231316 0.718814
C -1.392759 0.327143 -2.122621
C 6.371724 -0.367844 -2.155361
C -3.764554 -0.619854 3.234126
C -4.390419 0.103237 -1.734708
C -6.716399 -0.054621 -2.441930
H 4.748405 1.401786 -0.842286
H 2.855210 -3.233705 -0.795049
H -0.806212 2.326168 1.391947
H -1.104759 -0.270735 2.547434
H 4.167817 2.440136 0.923934
H 5.042995 -2.773291 -1.969177
H 0.462267 4.354162 2.096281
H -5.077769 -0.327497 0.812641
H 2.976055 4.403128 1.880769
H -1.702514 -0.457717 -2.833417
H -1.715957 1.280991 -2.575184
H -0.297718 0.318624 -2.021149
H 6.602377 0.710538 -2.172848
H 7.212398 -0.883410 -1.653852
H 6.347599 -0.727413 -3.200286
H -4.864857 -0.541386 3.224048
H -3.502566 -1.638743 3.576500
H -3.377562 0.085330 3.992117
H -6.491194 -0.797666 -3.225499
H -6.710020 0.953077 -2.890885
H -7.680331 -0.268179 -1.958797


