%chk=000186968.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000186968

0 1
S -2.261940 1.631855 1.907046
S -2.640076 2.883281 0.350269
S -1.399846 2.862528 -1.259868
O 1.645036 -0.575862 1.093173
O 0.737724 1.338835 -0.978910
O 2.313586 2.899795 -0.309436
N -2.658350 0.021657 1.808032
N 0.120789 3.508925 -0.857947
C 2.350573 -1.705769 1.808028
C 3.327664 -2.327802 0.768037
C 3.095823 -1.524209 -0.472939
C 2.125120 -0.520236 -0.189008
C 1.235221 -2.655052 2.212477
C 3.044204 -1.035642 2.978331
C 3.663134 -1.620650 -1.729078
C 1.747788 0.385008 -1.180833
C 3.266541 -0.706615 -2.727390
C 2.330870 0.287675 -2.459358
C -4.083991 -0.369493 1.762049
C -1.655352 -0.912368 1.251266
C -4.769646 -0.150639 0.403244
C -1.603970 -0.997829 -0.282739
C -6.170218 -0.774452 0.385291
C -0.947993 -2.310250 -0.731446
C -6.866999 -0.545743 -0.954001
C -0.620113 -2.295580 -2.221696
C 1.186867 2.626255 -0.644994
C 0.244320 4.913672 -0.423268
H 3.128663 -3.402074 0.603742
H 4.379628 -2.260010 1.102949
H 1.621806 -3.574890 2.662288
H 0.623660 -2.927590 1.331977
H 0.556177 -2.191450 2.940130
H 2.330950 -0.449857 3.576662
H 3.806091 -0.320170 2.636438
H 3.525878 -1.759843 3.642405
H 4.406711 -2.382548 -1.951340
H 3.709310 -0.777364 -3.719180
H 2.034255 1.003842 -3.225590
H -4.625966 0.202438 2.552519
H -4.154069 -1.444168 2.052279
H -1.863038 -1.916988 1.687359
H -0.641750 -0.604075 1.623046
H -4.837019 0.931990 0.175849
H -4.146048 -0.584998 -0.411774
H -2.621692 -0.912841 -0.721220
H -1.029995 -0.131787 -0.683789
H -6.784725 -0.345688 1.201805
H -6.105533 -1.861128 0.590270
H -0.013923 -2.481379 -0.146453
H -1.615105 -3.163502 -0.502722
H -6.979028 0.522993 -1.173098
H -7.869327 -0.988297 -0.960487
H -6.305622 -0.990358 -1.783774
H -1.514666 -2.129199 -2.831850
H -0.170966 -3.241488 -2.541457
H 0.092270 -1.495008 -2.465053
H -0.241962 5.575134 -1.162180
H 1.311026 5.202609 -0.348479
H -0.223459 5.081500 0.563695


%chk=000186968-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000186968

0 1
S -2.028056 0.770902 1.894845
S -2.622662 2.683267 0.522185
S -1.280700 2.773423 -1.343058
O 1.770559 -0.341707 1.152957
O 1.076081 1.102145 -1.334789
O 2.507114 2.542438 -0.130259
N -2.661222 -0.730806 1.328568
N 0.330446 3.204694 -0.708399
C 2.612622 -1.097061 2.198341
C 3.366334 -2.192081 1.366598
C 3.285535 -1.672196 -0.062323
C 2.347460 -0.613788 -0.087422
C 1.618055 -1.649206 3.222234
C 3.575188 -0.055953 2.794621
C 3.917269 -2.086868 -1.246869
C 2.049664 0.062115 -1.284792
C 3.601550 -1.423418 -2.461955
C 2.675545 -0.354122 -2.477983
C -4.094171 -1.048413 1.546764
C -1.852009 -1.547257 0.386591
C -5.089325 -0.432320 0.530613
C -1.945401 -1.158705 -1.109903
C -6.554249 -0.693675 0.951386
C -1.095306 -2.105641 -1.989042
C -7.570478 -0.118639 -0.058735
C -1.110977 -1.691380 -3.476131
C 1.393411 2.302778 -0.649547
C 0.484787 4.535751 -0.086667
H 2.864687 -3.174939 1.460624
H 4.405790 -2.310184 1.720425
H 2.154707 -2.187368 4.024761
H 0.909472 -2.348052 2.744104
H 1.039786 -0.827348 3.678243
H 3.007071 0.783252 3.229767
H 4.240747 0.352259 2.014133
H 4.195446 -0.515224 3.586693
H 4.641174 -2.909014 -1.237745
H 4.083238 -1.731250 -3.395439
H 2.435765 0.173858 -3.406379
H -4.355814 -0.694231 2.561556
H -4.187253 -2.152990 1.542746
H -2.172743 -2.600272 0.523777
H -0.797259 -1.463762 0.707658
H -4.904905 0.657088 0.460465
H -4.914090 -0.853106 -0.477858
H -2.998418 -1.185288 -1.450953
H -1.583735 -0.120444 -1.234515
H -6.732472 -0.246185 1.950520
H -6.720578 -1.785278 1.063229
H -0.049273 -2.104087 -1.622871
H -1.466623 -3.146829 -1.886528
H -7.441844 0.974088 -0.169171
H -8.610823 -0.307057 0.264049
H -7.438191 -0.574116 -1.058093
H -2.140027 -1.699588 -3.883023
H -0.496862 -2.375038 -4.090751
H -0.708096 -0.668806 -3.596487
H 0.232356 5.320716 -0.819148
H 1.529034 4.648361 0.241572
H -0.188033 4.621656 0.786107


