%chk=000087925.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000087925

0 1
S 2.205455 0.380121 1.108367
O 2.333756 0.008798 2.497272
O 2.827681 1.641707 0.670507
O -4.230988 -1.615025 0.106638
N -3.497418 0.475923 -0.544423
N 2.897448 -0.832938 0.143177
N 4.320084 -1.814441 -1.455466
N 4.917555 0.321059 -0.550342
C 0.553758 0.380952 0.634207
C -2.136589 0.400970 -0.131839
C -0.260221 -0.728546 0.891725
C 0.017060 1.503274 -0.009339
C -1.600943 -0.729099 0.512425
C -1.319411 1.527172 -0.394262
C -4.480598 -0.542977 -0.397481
C 3.994517 -0.745081 -0.572197
C -5.829686 -0.149768 -0.926802
H 0.152844 -1.609026 1.397582
H 0.655909 2.373744 -0.209974
H -2.229795 -1.603271 0.717293
H -1.721659 2.406386 -0.889633
H -3.779142 1.355526 -0.985586
H -6.252250 0.720536 -0.406162
H -6.543100 -0.980875 -0.782492
H -5.816294 0.069856 -2.002989
H 5.299724 -2.066336 -1.516087
H 3.728044 -2.637959 -1.346236
H 4.584720 1.216810 -0.150134
H 5.543639 0.444508 -1.333249


%chk=000087925-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000087925

0 1
S 2.258015 0.185925 0.971468
O 2.370269 -0.541297 2.423499
O 2.833268 1.737261 0.810023
O -4.599290 -1.385638 0.595892
N -3.614648 0.397190 -0.576309
N 2.943407 -0.896363 -0.367524
N 4.876166 -1.651081 -1.402764
N 4.989124 0.448559 -0.332501
C 0.454524 0.220173 0.481535
C -2.251661 0.295751 -0.189856
C -0.408251 -0.728809 1.050095
C 0.017230 1.217420 -0.404792
C -1.776914 -0.696212 0.713129
C -1.348563 1.250959 -0.737883
C -4.700586 -0.403660 -0.192382
C 4.248161 -0.662690 -0.660558
C -6.026959 0.025803 -0.819162
H -0.020341 -1.467303 1.758952
H 0.721547 1.956847 -0.797558
H -2.478492 -1.417741 1.133730
H -1.717010 2.023726 -1.424241
H -3.830515 1.161544 -1.221314
H -6.297237 1.055454 -0.519507
H -6.814329 -0.659467 -0.475068
H -5.981430 -0.010765 -1.923512
H 5.633224 -1.419532 -2.043401
H 4.362341 -2.519489 -1.539575
H 4.486812 1.236321 0.117824
H 6.006237 0.419114 -0.353741


