%chk=000270066.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000270066

0 1
S 2.501509 3.125015 -1.700067
O 2.278319 -2.969947 -0.643204
O 6.151271 -0.902670 -0.533025
O 5.310821 0.436691 1.089192
O 0.733877 0.440963 1.625825
N 2.851608 -1.036847 0.434084
N -0.196058 -1.525236 0.930753
N -2.487534 -0.062891 0.172806
N -2.541902 2.752280 0.610117
C 0.968516 -2.340402 1.341112
C 0.591131 -3.835529 1.542726
C 2.070696 -2.180512 0.259177
C 3.821689 -0.620885 -0.595106
C -0.237741 -3.995409 2.819614
C -0.128248 -4.436174 0.334902
C 3.334686 0.594668 -1.412825
C 2.974472 1.794054 -0.548872
C 5.128470 -0.267811 0.127482
C -0.219260 -0.159787 1.133851
C -1.464675 0.586188 0.720995
C -1.489909 2.019017 0.944946
C -3.598530 0.685808 -0.188279
C -3.626695 2.100982 0.030824
C 2.120520 4.483933 -0.572239
C 7.499422 -0.679228 -0.038041
C -4.728110 0.039409 -0.787000
C -4.784604 2.849798 -0.351505
C -5.820912 0.787865 -1.141298
C -5.849135 2.199974 -0.922322
H 1.362190 -1.941590 2.321863
H 1.561466 -4.386518 1.673742
H 4.009609 -1.489535 -1.299490
H 0.301442 -3.643940 3.706483
H -1.183035 -3.442755 2.770452
H -0.490826 -5.048895 2.991995
H 0.459703 -4.280368 -0.586539
H -0.252882 -5.519129 0.451108
H -1.124735 -4.013920 0.175619
H 2.585000 -0.313090 1.123924
H -0.972008 -2.017940 0.478202
H 4.121827 0.863159 -2.151828
H 2.456590 0.276230 -2.017988
H 2.132359 1.572324 0.139904
H 3.825438 2.113441 0.086033
H -0.616798 2.510157 1.404214
H 1.835120 5.353140 -1.180109
H 1.283698 4.242342 0.091336
H 2.986282 4.763105 0.037882
H 7.528952 -0.803592 1.049614
H 7.816175 0.328003 -0.324092
H 8.076238 -1.453506 -0.554973
H -4.685893 -1.039361 -0.947248
H -4.785453 3.928133 -0.176652
H -6.691868 0.316740 -1.599711
H -6.741086 2.753351 -1.221761


%chk=000270066-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000270066

0 1
S 2.430694 2.608066 -2.346158
O 2.331451 -3.176281 -0.670624
O 6.265032 -0.209754 -0.359479
O 5.076643 0.017952 1.632165
O 0.924421 0.318757 1.994192
N 2.844588 -1.210626 0.473831
N -0.146683 -1.503968 0.987376
N -2.288051 0.019050 0.348289
N -2.379932 2.806389 1.061559
C 0.908465 -2.494977 1.271031
C 0.336450 -3.938423 1.311811
C 2.088321 -2.341588 0.255305
C 3.957353 -0.854708 -0.408813
C -0.472141 -4.164629 2.611124
C -0.498340 -4.303893 0.058756
C 3.539041 0.168985 -1.515444
C 3.080378 1.518566 -0.938190
C 5.120481 -0.314731 0.427050
C -0.076488 -0.196526 1.380392
C -1.285078 0.627598 1.018127
C -1.333174 2.020497 1.374499
C -3.382465 0.797359 0.007887
C -3.427417 2.204326 0.367913
C 1.786529 4.038956 -1.306225
C 7.465225 0.340228 0.319505
C -4.475782 0.214449 -0.703968
C -4.566209 2.984966 0.004642
C -5.577214 1.002645 -1.046429
C -5.622954 2.390981 -0.691325
H 1.317726 -2.240075 2.269633
H 1.220191 -4.605272 1.320383
H 4.283047 -1.779261 -0.920264
H 0.150071 -4.003782 3.511182
H -1.337918 -3.478032 2.670636
H -0.861252 -5.198463 2.648238
H 0.072566 -4.106758 -0.863125
H -0.753370 -5.378715 0.082579
H -1.460789 -3.754670 0.022353
H 2.577354 -0.574987 1.243471
H -0.980201 -1.774837 0.451440
H 4.396118 0.314425 -2.197559
H 2.718881 -0.294371 -2.094079
H 2.261835 1.386894 -0.208977
H 3.912702 2.054290 -0.447437
H -0.496380 2.462194 1.923039
H 1.368525 4.777769 -2.007629
H 0.994696 3.690225 -0.623231
H 2.607903 4.498611 -0.733204
H 7.767742 -0.321845 1.147856
H 7.250670 1.345804 0.718271
H 8.236079 0.376754 -0.462318
H -4.418338 -0.846337 -0.966611
H -4.575542 4.041897 0.287507
H -6.416857 0.560334 -1.592929
H -6.497405 2.987849 -0.971422


