%chk=000273734.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000273734

0 1
S -1.614180 0.440692 1.869577
O 2.956886 0.719367 -2.407626
O -1.572862 1.865377 2.042664
O -1.635361 -0.427800 3.030774
N 1.772285 0.140007 -0.473295
N -0.297080 1.096264 -0.919063
N -0.072435 -0.065524 1.176965
C 2.824540 -0.585971 0.294548
C 3.322872 -1.795350 -0.521539
C 3.984116 0.374582 0.625859
C 4.416245 -2.537338 0.256586
C 5.076898 -0.370822 1.401383
C 5.573756 -1.598171 0.624422
C 0.414455 0.401851 -0.036858
C 1.941436 0.747748 -1.760306
C 0.586354 1.390962 -2.076908
C -2.802827 -0.033502 0.746480
C -3.422160 -1.287751 0.877031
C -3.179640 0.820592 -0.298237
C -4.403838 -1.683781 -0.023822
C -4.166563 0.427194 -1.205282
C -4.782986 -0.825975 -1.077336
C -5.836096 -1.261201 -2.039208
H 2.360102 -0.949918 1.250030
H 3.722280 -1.446999 -1.498856
H 2.485977 -2.475492 -0.760007
H 3.617980 1.240397 1.206878
H 4.403764 0.792473 -0.314259
H 4.795890 -3.380617 -0.351654
H 3.991670 -2.990275 1.172818
H 4.696560 -0.679746 2.393841
H 5.922481 0.315218 1.600848
H 6.327652 -2.143576 1.221714
H 6.092103 -1.268794 -0.297905
H 0.680215 2.490425 -2.216100
H 0.146575 0.979284 -3.010376
H 0.571127 -0.636135 1.747230
H -3.135621 -1.954332 1.699534
H -2.698084 1.802590 -0.410138
H -4.882248 -2.655331 0.082666
H -4.449050 1.098049 -2.014799
H -6.040284 -0.516493 -2.820738
H -5.551026 -2.192910 -2.551461
H -6.790375 -1.457165 -1.526374


%chk=000273734-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000273734

0 1
S -1.509388 0.293169 1.615350
O 3.397288 1.091706 -2.277622
O -1.381969 1.899111 1.742265
O -1.500729 -0.654057 2.937976
N 1.972011 0.144602 -0.614186
N -0.096629 1.036109 -1.194871
N -0.012007 -0.409687 0.708775
C 2.988247 -0.605425 0.170706
C 3.695869 -1.683784 -0.690530
C 4.005785 0.359275 0.832633
C 4.727146 -2.462808 0.160652
C 5.036549 -0.430538 1.673313
C 5.749750 -1.509517 0.823682
C 0.568406 0.265768 -0.352797
C 2.266415 0.937371 -1.750072
C 0.912942 1.548827 -2.154472
C -2.980708 -0.178404 0.541417
C -3.776237 -1.241421 0.999522
C -3.246325 0.566895 -0.615690
C -4.919107 -1.566624 0.239195
C -4.399398 0.215310 -1.353352
C -5.248128 -0.845412 -0.940882
C -6.487392 -1.206920 -1.738778
H 2.448636 -1.135547 0.984638
H 4.203891 -1.184497 -1.535798
H 2.940865 -2.372807 -1.115391
H 3.467092 1.091101 1.464452
H 4.524245 0.924855 0.036313
H 5.247923 -3.201302 -0.477908
H 4.200648 -3.039667 0.950201
H 4.525317 -0.917750 2.530247
H 5.776033 0.271057 2.103598
H 6.454386 -2.085786 1.453331
H 6.350975 -1.013629 0.034811
H 0.967950 2.652863 -2.122698
H 0.654175 1.260967 -3.190248
H 0.554620 -0.935530 1.384079
H -3.514670 -1.776217 1.918009
H -2.559506 1.354771 -0.940345
H -5.564896 -2.388293 0.569923
H -4.637147 0.774290 -2.265036
H -6.593578 -0.572655 -2.634552
H -6.455649 -2.261072 -2.071176
H -7.402198 -1.086597 -1.128985


