%chk=000187082.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000187082

0 1
S 2.561889 0.754059 1.493470
O 2.499850 0.179178 2.808775
O 3.336885 1.952690 1.277270
O 2.603366 1.974585 -1.080312
O 4.654061 1.635875 -1.997225
O -0.017160 -0.812224 1.255440
O -3.742217 -2.363606 -1.438502
O -6.087155 1.176169 0.206195
N 0.936052 1.262517 1.070891
N -1.428918 1.046800 0.958792
N -3.758511 1.160033 0.632298
N -2.498724 -0.726174 -0.272359
N -4.932214 -0.600814 -0.621217
C 2.933580 -0.479192 0.338790
C 3.453535 -0.196758 -0.931752
C 2.705377 -1.808525 0.705832
C 3.771583 -1.229260 -1.816878
C 3.014959 -2.849941 -0.181038
C 3.550902 -2.561279 -1.435401
C 3.701856 1.207729 -1.396372
C -0.156572 0.376904 1.095652
C -2.582594 0.450579 0.433052
C 2.736610 3.414616 -1.267496
C -3.702401 -1.206053 -0.756590
C -4.885259 0.584270 0.082066
C -2.471005 -3.079642 -1.595765
C -6.133302 2.432051 0.959776
H 2.270819 -2.043106 1.689648
H 4.196438 -1.000824 -2.797685
H 0.812348 2.216617 0.700457
H 2.832223 -3.883728 0.116484
H 3.800313 -3.368878 -2.126801
H -1.553280 1.984307 1.367232
H 1.716649 3.739983 -1.483912
H 3.121378 3.811578 -0.316706
H 3.420204 3.641619 -2.093827
H -1.780212 -2.477581 -2.193849
H -2.808763 -3.979496 -2.122856
H -2.042362 -3.306465 -0.612938
H -7.204564 2.662503 0.905465
H -5.520422 3.189128 0.461487
H -5.797842 2.263953 1.988109


%chk=000187082-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000187082

0 1
S 2.434713 0.626070 1.660988
O 2.282168 -0.233308 3.017659
O 3.271604 2.012226 1.671900
O 2.562723 2.028777 -1.078776
O 4.652006 1.744235 -2.079523
O -0.133270 -1.041457 1.089895
O -4.108453 -2.404525 -1.368061
O -6.140054 1.410231 0.209260
N 0.740080 1.141948 1.136610
N -1.539338 0.876336 0.871211
N -3.823202 1.175213 0.577736
N -2.748534 -0.824667 -0.284650
N -5.148844 -0.506304 -0.584900
C 3.047001 -0.572324 0.291803
C 3.615099 -0.124493 -0.921769
C 2.979990 -1.921301 0.667537
C 4.172937 -1.117671 -1.771249
C 3.513952 -2.888709 -0.213381
C 4.117942 -2.483144 -1.424965
C 3.702456 1.292765 -1.402837
C -0.298306 0.196950 1.021290
C -2.736446 0.363059 0.369391
C 2.634968 3.490242 -1.343995
C -3.989990 -1.206582 -0.722694
C -4.991865 0.678863 0.066488
C -2.870286 -3.209898 -1.524747
C -6.040056 2.700566 0.928984
H 2.530447 -2.196794 1.626010
H 4.646507 -0.788356 -2.701498
H 0.756110 2.020428 0.607312
H 3.465109 -3.948339 0.055686
H 4.548040 -3.230161 -2.099719
H -1.628156 1.811842 1.277684
H 1.596412 3.816405 -1.501006
H 3.077954 3.971892 -0.456534
H 3.251871 3.685035 -2.235062
H -2.164388 -2.693718 -2.196106
H -3.223473 -4.152696 -1.965069
H -2.386097 -3.369515 -0.548102
H -7.070401 3.082321 0.933601
H -5.363268 3.389263 0.396234
H -5.668263 2.543492 1.955063


