%chk=000183372.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000183372

0 1
S -5.294742 2.609989 1.975694
O -4.140677 2.928552 2.772146
O -6.337566 3.580760 1.745968
N -0.632689 -1.318115 -1.083076
N 3.378461 -1.659727 0.201828
N -2.329491 -0.307107 -3.085844
N -4.792324 2.215603 0.363613
N 3.564501 3.001918 1.517523
C 0.714888 -1.326919 -0.757417
C 1.439270 -0.219315 -0.249147
C 2.758590 -0.462570 0.277528
C 1.405169 -2.587713 -0.933405
C -1.610043 -0.327349 -0.738807
C 2.734511 -2.699159 -0.429532
C 3.487691 0.630134 0.924716
C -2.496246 0.178566 -1.732450
C 0.963507 1.146395 -0.280829
C 2.927732 1.934421 0.925421
C 0.828417 -3.732460 -1.569964
C 1.654562 2.171718 0.271996
C -1.767283 0.062098 0.602934
C -3.530272 1.039132 -1.343698
C -3.692854 1.400324 0.010606
C 3.449216 -3.942452 -0.564077
C -2.788610 0.925097 0.982228
C 4.740707 0.438470 1.552342
C 1.527173 -4.904670 -1.692292
C 2.856669 -5.010009 -1.178630
C -3.559026 -0.245303 -3.926477
C -1.170830 0.335857 -3.777807
C 5.376936 1.514940 2.150091
C 4.752159 2.784879 2.111120
C -5.981209 1.117077 2.547450
H -0.985269 -2.049034 -1.714725
H 0.026694 1.355158 -0.801423
H -0.185796 -3.661996 -1.967771
H 1.292393 3.200827 0.245737
H -1.066728 -0.312861 1.355798
H -4.209529 1.442095 -2.090911
H 4.463088 -3.989882 -0.163914
H -2.838181 1.262641 2.021839
H 5.190484 -0.559825 1.557433
H 1.086593 -5.771673 -2.179385
H 3.384680 -5.957226 -1.289203
H -5.263114 2.690323 -0.419983
H -3.871399 0.768814 -4.218102
H -4.393604 -0.733273 -3.396181
H -3.375268 -0.825043 -4.847604
H -0.266906 0.276157 -3.148373
H -1.334640 1.393656 -4.035288
H -0.960116 -0.221103 -4.705718
H 6.338291 1.396692 2.641684
H 5.228877 3.657379 2.575125
H -5.455555 0.215132 2.195373
H -5.971095 1.037709 3.647263
H -7.033998 0.980971 2.253878


%chk=000183372-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000183372

0 1
S -5.400593 2.799694 1.182340
O -3.867540 3.372458 1.257412
O -6.525119 3.556045 0.252974
N -0.346761 -0.839048 -1.452170
N 3.575934 -1.649039 0.081281
N -2.402132 -0.390891 -3.130961
N -5.288679 0.651332 0.831790
N 3.785337 2.760983 2.184165
C 0.929440 -1.083727 -0.903394
C 1.640987 -0.108024 -0.140037
C 2.960837 -0.467607 0.358086
C 1.561018 -2.343222 -1.199072
C -1.515039 -0.375348 -0.839980
C 2.907236 -2.564078 -0.698020
C 3.696443 0.500485 1.176845
C -2.641554 -0.176827 -1.722326
C 1.143811 1.232518 0.099337
C 3.140147 1.801609 1.423600
C 0.922174 -3.393873 -1.940846
C 1.858751 2.147315 0.846552
C -1.675655 -0.189384 0.561023
C -3.886642 0.167276 -1.179833
C -4.060846 0.326159 0.233374
C 3.574384 -3.796981 -1.006272
C -2.925254 0.162780 1.084720
C 4.968136 0.199002 1.739532
C 1.596775 -4.583638 -2.219775
C 2.939110 -4.783256 -1.758933
C -3.543895 -0.903118 -3.920209
C -1.709193 0.742545 -3.811929
C 5.620456 1.170364 2.513142
C 4.990456 2.433764 2.708140
C -6.074531 2.768510 2.966362
H -0.551074 -1.201200 -2.398846
H 0.182319 1.529743 -0.326767
H -0.116693 -3.278615 -2.269892
H 1.484568 3.159433 1.025578
H -0.828741 -0.353915 1.232296
H -4.742884 0.336802 -1.843863
H 4.590984 -3.924609 -0.622209
H -3.060240 0.291635 2.162548
H 5.400019 -0.787335 1.549268
H 1.093976 -5.377759 -2.782278
H 3.456464 -5.721016 -1.988551
H -6.066181 0.620166 0.135585
H -4.324263 -0.132879 -4.117749
H -4.011823 -1.750980 -3.393335
H -3.171023 -1.259422 -4.896886
H -0.839312 1.067487 -3.218047
H -2.383781 1.616072 -3.947237
H -1.353339 0.413253 -4.804233
H 6.598012 0.973746 2.964228
H 5.478401 3.210908 3.308622
H -5.359939 2.176505 3.552159
H -6.121867 3.818090 3.288825
H -7.065384 2.297813 2.919168


