%chk=000284480.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000284480

0 1
S -1.004688 0.064098 0.440129
S 0.718373 2.388173 0.738487
O -0.866352 -1.374547 0.178220
O -1.663105 0.445130 1.697773
O 2.128630 2.758766 0.566723
O -0.241715 3.091952 -0.127411
N 2.564555 0.143925 -0.709940
N 1.923351 -1.187053 1.138552
C 1.642814 -0.094420 0.265166
C 2.343628 1.148931 -1.797676
C 3.940326 -0.442037 -0.718595
C 1.296631 -1.147504 2.503124
C 1.829926 -2.561824 0.529914
C 2.673889 0.539447 -3.168199
C 4.247063 -1.092952 -2.073238
C 2.074240 -2.110732 3.415181
C 2.588285 -3.558832 1.416604
C 4.076775 -0.075760 -3.208103
C 2.049873 -3.538239 2.853665
C 0.531102 0.747149 0.447998
C -1.862866 0.805901 -0.902420
C 0.267003 2.675022 2.393855
C -3.289661 0.374113 -0.983760
C -4.161878 0.594912 0.095935
C -3.776335 -0.228750 -2.154798
C -5.502176 0.218545 -0.000561
C -5.120641 -0.602251 -2.243350
C -5.986965 -0.378087 -1.170032
H 2.974133 2.047442 -1.574455
H 1.287817 1.505116 -1.801026
H 4.077511 -1.167191 0.113645
H 4.655364 0.394390 -0.518982
H 1.347680 -0.111985 2.899570
H 0.219052 -1.439383 2.470969
H 0.747631 -2.852030 0.437042
H 2.244917 -2.553664 -0.497211
H 1.920100 -0.230220 -3.428878
H 2.581121 1.329606 -3.940006
H 5.279403 -1.492664 -2.064636
H 3.583237 -1.963827 -2.241614
H 3.120914 -1.765662 3.524370
H 1.630595 -2.088264 4.428647
H 2.492453 -4.574236 0.986911
H 3.669385 -3.320430 1.419592
H 4.842833 0.720211 -3.123974
H 4.250158 -0.562797 -4.186517
H 1.014314 -3.933082 2.873463
H 2.648126 -4.211163 3.494982
H -1.823094 1.935196 -0.826687
H -1.337159 0.626362 -1.862067
H 1.086693 2.538663 3.107121
H -0.559680 2.010806 2.733815
H -0.113059 3.693134 2.560937
H -3.784238 1.043206 1.021300
H -3.110064 -0.412077 -2.993750
H -6.171791 0.389045 0.841105
H -5.491546 -1.070865 -3.152928
H -7.031988 -0.668812 -1.241083


%chk=000284480-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000284480

0 1
S -1.314365 -0.619956 0.284749
S 0.251405 2.093595 0.419936
O -1.017172 -2.221346 0.029116
O -2.146307 -0.182705 1.637503
O 1.784299 2.693329 0.438703
O -0.827366 2.684797 -0.681684
N 2.550351 0.000650 -0.711280
N 1.793294 -1.594583 0.871406
C 1.552802 -0.439815 0.144631
C 2.259587 0.808759 -1.923747
C 3.980980 0.028333 -0.303355
C 1.128010 -1.869361 2.171021
C 2.417773 -2.795826 0.254237
C 3.134731 0.325940 -3.101646
C 4.907055 -0.436663 -1.447728
C 2.143975 -2.477934 3.162808
C 3.439727 -3.454263 1.205822
C 4.636311 0.378374 -2.735073
C 2.792144 -3.755019 2.578829
C 0.331048 0.253594 0.269945
C -2.325305 0.030853 -1.407196
C -0.502151 2.444954 2.145560
C -3.714927 0.393035 -1.065080
C -4.033738 1.737133 -0.719237
C -4.746862 -0.586958 -1.075907
C -5.362217 2.090748 -0.406866
C -6.073094 -0.229257 -0.760809
C -6.383647 1.111027 -0.426541
H 2.458529 1.875577 -1.702411
H 1.184971 0.710811 -2.155515
H 4.105179 -0.591980 0.598083
H 4.221874 1.078699 -0.033786
H 0.706883 -0.924028 2.552996
H 0.283101 -2.565567 2.002333
H 1.596956 -3.511058 0.034455
H 2.879489 -2.502972 -0.701715
H 2.850868 -0.709903 -3.374524
H 2.927283 0.967373 -3.978962
H 5.959710 -0.318252 -1.127402
H 4.743674 -1.514119 -1.649056
H 2.928610 -1.730406 3.394762
H 1.617213 -2.708323 4.108090
H 3.815256 -4.385696 0.740964
H 4.309744 -2.782094 1.345915
H 4.934155 1.433737 -2.568529
H 5.253522 -0.004033 -3.569236
H 2.012075 -4.533088 2.451673
H 3.545592 -4.163361 3.277884
H -1.682597 0.876797 -1.695424
H -2.185411 -0.883270 -2.003030
H 0.303296 2.245224 2.865420
H -1.354293 1.753145 2.245764
H -0.784984 3.506402 2.107517
H -3.230803 2.483981 -0.700680
H -4.502443 -1.625415 -1.330090
H -5.604499 3.127088 -0.146564
H -6.863239 -0.987999 -0.772419
H -7.415153 1.389197 -0.181733


