%chk=000278603.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000278603

0 1
S 1.139382 2.541804 1.188732
O 1.330763 1.430072 -0.077919
O 1.864345 -1.174745 -2.228596
O 1.689528 3.778820 0.693527
O 1.704672 1.927376 2.365885
O 1.800600 -3.410265 -1.854278
O -5.118770 -2.252437 -1.078582
O -4.638448 -0.254883 -0.407710
N -4.329908 -1.352381 -0.851141
C 3.180350 -0.123903 -0.021899
C 4.022645 -0.938141 -1.036113
C 4.012655 0.150631 1.246136
C 4.426154 -2.290367 -0.407966
C 2.645139 1.191586 -0.616899
C 3.317287 -1.178534 -2.381623
C 4.735566 -1.062794 1.740888
C 4.931285 -2.154182 0.995194
C 1.231162 -2.345141 -1.898117
C -0.567537 2.542085 1.229835
C -0.213025 -2.063586 -1.640341
C -1.246908 1.682930 2.106046
C -1.294841 3.382460 0.376184
C -2.638123 1.649446 2.115588
C -2.687537 3.352565 0.382236
C -3.374279 2.483609 1.250922
C -1.148259 -3.082879 -1.878991
C -0.614457 -0.816351 -1.145085
C -2.499969 -2.851510 -1.624493
C -1.965369 -0.578409 -0.882372
C -4.860116 2.425983 1.246718
C -2.893856 -1.599175 -1.127309
H 2.292604 -0.744032 0.267540
H 4.959445 -0.362930 -1.250290
H 3.339054 0.542583 2.048179
H 4.751397 0.958728 1.065679
H 3.555723 -2.987522 -0.411277
H 5.195171 -2.778899 -1.039407
H 3.302516 2.059928 -0.440218
H 2.443543 1.111990 -1.704615
H 3.450820 -0.339099 -3.088798
H 3.626122 -2.125309 -2.860835
H 5.105386 -0.990718 2.763147
H 5.460933 -3.024909 1.378018
H -0.680711 1.037062 2.788353
H -0.768667 4.068813 -0.297531
H -3.162790 0.977308 2.793919
H -3.247411 4.005246 -0.286436
H -0.812774 -4.054486 -2.254975
H 0.135663 -0.026214 -0.962530
H -3.248822 -3.630859 -1.804074
H -2.297253 0.390389 -0.488096
H -5.209894 1.539067 0.679560
H -5.328943 3.301237 0.778144
H -5.282540 2.332848 2.257186


%chk=000278603-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000278603

0 1
S 1.216047 2.600631 1.404875
O 1.382486 1.426338 -0.050229
O 1.836468 -1.278073 -1.926499
O 1.881886 4.010358 0.961233
O 1.708909 1.874323 2.768984
O 1.473567 -3.315168 -3.019066
O -5.298531 -2.611305 -1.067300
O -4.762395 -0.684194 0.023828
N -4.451199 -1.713030 -0.696325
C 3.397745 -0.058567 0.051791
C 4.104424 -0.992984 -0.984722
C 4.363525 0.260864 1.221674
C 4.452297 -2.340304 -0.295859
C 2.774539 1.225672 -0.544055
C 3.286773 -1.236433 -2.271844
C 5.072315 -0.974623 1.739797
C 5.091319 -2.155030 1.067625
C 1.048760 -2.340905 -2.353033
C -0.651219 2.652841 1.346336
C -0.370796 -2.151223 -1.907201
C -1.357731 1.772851 2.183551
C -1.266371 3.548796 0.459068
C -2.766214 1.790772 2.107087
C -2.678768 3.546786 0.407302
C -3.446563 2.665151 1.214513
C -1.326711 -3.132501 -2.278737
C -0.759303 -1.024600 -1.134125
C -2.670798 -2.996625 -1.886289
C -2.101174 -0.879425 -0.735643
C -4.958474 2.633598 1.121123
C -3.034979 -1.867226 -1.117918
H 2.548786 -0.640755 0.459291
H 5.056300 -0.513174 -1.299588
H 3.790991 0.734984 2.043946
H 5.114314 1.015772 0.899291
H 3.530496 -2.954795 -0.202146
H 5.134477 -2.920969 -0.949530
H 3.372598 2.134370 -0.327194
H 2.630499 1.170056 -1.636005
H 3.389753 -0.410178 -2.997150
H 3.563368 -2.185785 -2.765343
H 5.574246 -0.893486 2.713502
H 5.592660 -3.027763 1.507697
H -0.825108 1.107851 2.870752
H -0.669703 4.225988 -0.159937
H -3.346849 1.111367 2.740650
H -3.188941 4.233285 -0.277119
H -0.996305 -3.989880 -2.873300
H -0.017057 -0.271758 -0.850582
H -3.430100 -3.734189 -2.157714
H -2.428170 -0.024446 -0.139241
H -5.298331 1.658018 0.726335
H -5.344090 3.425665 0.457709
H -5.424964 2.762959 2.114836


