%chk=000249321.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000249321

0 1
S -1.734939 1.479763 -0.000491
O -2.980897 2.206669 0.151255
O -0.983247 1.700634 -1.228610
N -2.128339 -0.193773 0.135041
N 1.893782 -0.251769 -0.064735
C -1.003639 -1.171499 0.211448
C -1.541650 -2.562029 0.622649
C -0.160170 -1.244890 -1.083036
C -2.707703 -3.030324 -0.254212
C -3.286544 -0.614972 -0.707651
C 1.330189 -1.454001 -0.774808
C -3.822945 -1.979287 -0.247329
C 2.094883 0.882416 -1.028917
C 3.185358 -0.621514 0.609348
C 2.670982 2.111478 -0.309267
C 3.750875 0.589374 1.369769
C 3.974760 1.774950 0.423588
C -0.697719 1.774951 1.364436
H -0.337702 -0.816112 1.049206
H -1.876240 -2.513954 1.678310
H -0.717060 -3.297194 0.591812
H -0.284489 -0.315587 -1.687377
H -0.521147 -2.057403 -1.739019
H -3.093444 -3.999241 0.113492
H -2.360285 -3.210537 -1.289602
H -3.008604 -0.663580 -1.784632
H -4.090353 0.154294 -0.602008
H 1.871417 -1.686307 -1.717926
H 1.450321 -2.343317 -0.118451
H -4.657359 -2.290241 -0.902079
H -4.245030 -1.885591 0.773277
H 1.090887 1.143470 -1.456437
H 2.748008 0.605442 -1.882659
H 3.946509 -1.003296 -0.104723
H 2.970749 -1.441653 1.327768
H 1.926154 2.503243 0.410587
H 2.836911 2.920038 -1.045733
H 4.696506 0.306608 1.866855
H 3.049258 0.881432 2.175382
H 4.769967 1.534079 -0.307138
H 4.334193 2.653972 0.989125
H 0.323506 1.358476 1.222467
H -0.554599 2.846508 1.562821
H -1.072514 1.348376 2.305207


%chk=000249321-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000249321

0 1
S -1.845564 1.569911 0.034520
O -3.280364 2.307694 0.249741
O -0.961288 1.990465 -1.283667
N -2.227636 -0.283382 0.222802
N 1.920543 -0.227816 -0.120955
C -1.018958 -1.171046 0.200564
C -1.533844 -2.574858 0.643260
C -0.190345 -1.211086 -1.119348
C -2.702219 -3.084264 -0.232794
C -3.304264 -0.669510 -0.736598
C 1.311382 -1.406780 -0.803507
C -3.843961 -2.043585 -0.278311
C 2.219064 0.866959 -1.095444
C 3.148043 -0.615898 0.632171
C 2.811463 2.106666 -0.397381
C 3.743378 0.583659 1.395868
C 4.066682 1.742774 0.425768
C -0.757003 1.832030 1.574180
H -0.339200 -0.795499 0.988453
H -1.871910 -2.506835 1.694755
H -0.682724 -3.283184 0.613121
H -0.332684 -0.271691 -1.683206
H -0.525407 -2.037298 -1.775153
H -3.075347 -4.045962 0.166898
H -2.348295 -3.286323 -1.263842
H -2.936667 -0.736915 -1.783838
H -4.092750 0.101306 -0.687361
H 1.861440 -1.649859 -1.746319
H 1.430555 -2.283218 -0.134842
H -4.643249 -2.364392 -0.973159
H -4.293774 -1.930915 0.726163
H 1.283431 1.150723 -1.605945
H 2.943403 0.498808 -1.869060
H 3.928892 -1.026854 -0.061066
H 2.879334 -1.423207 1.339866
H 2.043114 2.548394 0.266307
H 3.050047 2.868403 -1.163569
H 4.652120 0.258480 1.938079
H 3.009590 0.927471 2.152170
H 4.879634 1.428101 -0.261084
H 4.438124 2.623933 0.982514
H 0.196963 1.318187 1.378367
H -0.641474 2.922559 1.649544
H -1.319678 1.411957 2.418342


