%chk=000250797.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000250797

0 1
S -4.511399 -0.691239 -0.197794
O -1.502001 5.290393 -0.663886
N 3.459520 -0.739596 -0.526421
N -1.534724 -0.679741 -0.771328
C 6.179300 -0.169561 0.453735
C 5.837272 -1.444841 -0.340863
C 4.916030 0.310380 1.194486
C 4.661738 -1.199668 -1.299624
C 3.753889 0.532026 0.214070
C 2.281236 -0.570448 -1.440300
C 7.324856 -0.428083 1.436490
C 0.993889 -0.639044 -0.602749
C -0.243300 -0.730468 -1.509413
C -2.087416 0.592200 -0.442524
C -2.025047 -1.871942 -0.159844
C -3.464099 0.709775 -0.143608
C -3.391593 -1.983983 0.171140
C -1.300620 1.760945 -0.442363
C -1.180724 -2.971928 0.097826
C -4.043284 1.942358 0.138070
C -1.892578 3.000975 -0.176513
C -3.906188 -3.142933 0.747554
C -3.258293 3.100989 0.106116
C -1.706181 -4.140002 0.652743
C -3.061956 -4.233238 0.980966
C -1.073105 4.261671 -0.191530
C 0.291390 4.181155 0.431928
H 6.499480 0.625578 -0.263237
H 5.575734 -2.262425 0.360271
H 6.716253 -1.793794 -0.911058
H 5.121834 1.243918 1.747017
H 4.619697 -0.441870 1.952610
H 4.962807 -0.483194 -2.093798
H 4.395225 -2.154345 -1.803729
H 2.841019 0.811920 0.783692
H 3.987131 1.380114 -0.465313
H 2.283628 -1.402495 -2.179383
H 2.312516 0.371730 -2.027752
H 1.042425 -1.519413 0.077120
H 0.921770 0.234165 0.074092
H 7.067549 -1.202650 2.167838
H 8.230293 -0.759015 0.916404
H 7.582078 0.476959 1.997297
H -0.223541 -1.678001 -2.098462
H -0.242630 0.091756 -2.262452
H -0.233017 1.708828 -0.648911
H -0.112555 -2.918340 -0.116242
H -5.107553 2.015412 0.373229
H -4.963635 -3.206680 1.011787
H -3.708251 4.077439 0.291646
H -1.044499 -4.986670 0.839123
H -3.459081 -5.145830 1.418788
H 0.669054 5.185825 0.677455
H 0.295064 3.587825 1.355116
H 1.017894 3.730898 -0.257012


%chk=000250797-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000250797

0 1
S -4.666215 -0.503393 -0.095425
O -0.928544 5.226189 0.112089
N 3.459963 -0.680106 -0.463388
N -1.607483 -0.845705 -0.682897
C 6.075116 0.216964 0.631271
C 5.958413 -0.763893 -0.560662
C 4.799783 0.097735 1.499771
C 4.650629 -0.543453 -1.344826
C 3.518360 0.285579 0.663435
C 2.203272 -0.578633 -1.238928
C 7.356090 -0.028002 1.455289
C 0.950233 -1.011552 -0.448482
C -0.305140 -1.016596 -1.368829
C -2.021224 0.481159 -0.358686
C -2.256521 -2.002397 -0.152521
C -3.369976 0.776353 0.002446
C -3.629627 -1.982681 0.223513
C -1.110210 1.570689 -0.409335
C -1.556882 -3.231439 0.009522
C -3.767277 2.089342 0.335297
C -1.512280 2.900007 -0.115094
C -4.262718 -3.118888 0.762704
C -2.851833 3.154402 0.272054
C -2.201242 -4.382958 0.510884
C -3.555805 -4.335060 0.900131
C -0.551997 4.051940 -0.182116
C 0.891845 3.793234 -0.610454
H 6.112625 1.250021 0.219790
H 5.978259 -1.804025 -0.178817
H 6.820979 -0.642704 -1.245174
H 4.817234 0.848398 2.314115
H 4.774915 -0.904984 1.970894
H 4.678759 0.471814 -1.825387
H 4.564241 -1.288886 -2.158061
H 2.635608 0.137517 1.310001
H 3.478326 1.343182 0.279291
H 2.306315 -1.231889 -2.128490
H 2.045360 0.466331 -1.629891
H 1.137882 -2.009670 -0.014404
H 0.769104 -0.331630 0.402600
H 7.357571 -1.049444 1.882437
H 8.262502 0.077110 0.829843
H 7.438026 0.688062 2.294525
H -0.348770 -1.954761 -1.950166
H -0.218730 -0.198150 -2.108881
H -0.069537 1.390673 -0.682533
H -0.496900 -3.295495 -0.244103
H -4.807787 2.270754 0.624713
H -5.316207 -3.054811 1.056014
H -3.145579 4.180838 0.510008
H -1.630948 -5.312900 0.609104
H -4.057510 -5.220554 1.302227
H 1.437026 4.749145 -0.615727
H 1.397170 3.094628 0.083406
H 0.934637 3.346391 -1.621595


