%chk=000225106.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000225106

0 1
S -0.002644 1.062658 -0.668710
O -2.824288 -1.684587 1.242323
O -3.194857 1.374417 -1.351938
O 0.200329 2.454134 -1.001285
O -0.709163 0.189827 -1.614156
N -0.895208 1.031665 0.809848
N 5.138960 -1.509818 0.685234
C -0.902635 -0.224661 1.589577
C -2.153878 1.817436 0.805133
C -1.453365 -1.484295 0.869048
C -3.356681 1.181908 0.059225
C 1.489758 0.319350 -0.270077
C -0.634980 -2.727131 1.202305
C -4.650549 1.918593 0.395656
C 1.811594 -0.936016 -0.808286
C 2.414324 0.979353 0.553193
C 3.022241 -1.547057 -0.515162
C 3.633547 0.393813 0.864624
C 3.947207 -0.883438 0.332232
H -1.493989 -0.061802 2.520932
H 0.144175 -0.403913 1.932281
H -1.929932 2.812689 0.342223
H -2.438029 2.026769 1.859711
H -1.543957 -1.338326 -0.240440
H -3.447448 0.091444 0.273847
H 0.379501 -2.668689 0.790186
H -0.543622 -2.897501 2.279849
H -1.108958 -3.621122 0.772414
H -4.929435 1.807199 1.445586
H -4.573683 2.987348 0.158295
H -5.471768 1.528843 -0.222643
H 1.096402 -1.437689 -1.475645
H 2.175617 1.971907 0.953873
H -2.908435 -1.977226 2.168227
H -2.555280 0.713652 -1.739003
H 3.260768 -2.519540 -0.935455
H 4.340334 0.910804 1.507037
H 5.448301 -2.319935 0.174679
H 5.869427 -0.979766 1.130462


%chk=000225106-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000225106

0 1
S -0.010852 1.011437 -0.693964
O -3.163689 -1.555744 1.510040
O -3.102945 1.465936 -1.417985
O 0.135998 2.604772 -0.963953
O -0.644241 0.018069 -1.861069
N -0.950237 0.856520 0.913100
N 5.504357 -1.163522 0.539961
C -0.886797 -0.494933 1.514447
C -2.202753 1.664203 0.909545
C -1.786585 -1.645767 0.972577
C -3.392363 1.226986 0.001376
C 1.658510 0.305589 -0.262244
C -1.173199 -3.021165 1.291423
C -4.621033 2.088304 0.325606
C 2.028053 -0.945065 -0.791016
C 2.538300 1.094910 0.503522
C 3.316669 -1.436948 -0.520937
C 3.823324 0.597694 0.775851
C 4.231920 -0.676978 0.271564
H -1.107304 -0.350057 2.593351
H 0.171080 -0.815598 1.457857
H -1.914910 2.692938 0.621374
H -2.533107 1.677643 1.967583
H -1.915021 -1.533549 -0.117218
H -3.632368 0.163733 0.188133
H -0.214124 -3.163278 0.760514
H -0.978225 -3.134486 2.377168
H -1.864436 -3.822040 0.977974
H -4.960680 1.927256 1.365257
H -4.390213 3.159713 0.181762
H -5.443495 1.824528 -0.359957
H 1.324169 -1.498476 -1.421724
H 2.227207 2.080697 0.863050
H -3.144909 -1.800337 2.471295
H -2.405361 0.832961 -1.758165
H 3.625517 -2.405733 -0.929946
H 4.522735 1.196493 1.370445
H 5.812017 -2.057028 0.166279
H 6.168693 -0.618380 1.082326


