%chk=000209836.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000209836

0 1
S -1.789063 2.350961 0.441443
O -1.848218 2.708913 1.848183
O -2.130018 3.325132 -0.582921
O -5.701118 -3.051253 0.647331
O -5.946450 -2.518775 -1.435278
O 4.199526 -0.806010 1.205666
N 3.545157 0.089867 -0.846767
N -5.483425 -2.342776 -0.320930
N 5.615342 -0.960399 -0.664388
N 7.614488 -2.159305 -0.900077
N 6.757157 -1.843768 1.308677
C -0.241923 1.687887 0.087280
C -2.877631 0.980685 0.220624
C 0.282811 1.782033 -1.208199
C 0.518218 1.085105 1.098961
C -3.168985 0.151149 1.303804
C -3.452181 0.753242 -1.030244
C 2.282873 0.620103 -0.486861
C 1.531406 1.250769 -1.509673
C 1.768499 0.543904 0.823903
C -4.024326 -0.942928 1.135774
C -4.309845 -0.335679 -1.217616
C -4.579081 -1.175628 -0.129266
C 4.438638 -0.584774 0.021914
C 6.609984 -1.631633 -0.063741
H -0.291393 2.288475 -1.994034
H 0.130779 1.045781 2.124207
H -2.745306 0.361237 2.293581
H -3.249708 1.434560 -1.865701
H 1.924287 1.330096 -2.520515
H 2.355147 0.068443 1.620014
H -4.264184 -1.607238 1.972858
H -4.769740 -0.532663 -2.191819
H 3.848921 0.210191 -1.822536
H 8.560116 -2.197847 -0.542230
H 7.568538 -1.871840 -1.877135
H 5.944978 -1.638978 1.907809
H 7.371332 -2.564037 1.657701


%chk=000209836-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000209836

0 1
S -1.794685 2.303389 0.425405
O -1.846732 2.677217 2.019181
O -2.120860 3.370507 -0.775442
O -6.183656 -2.936548 0.716918
O -6.431117 -2.353636 -1.474303
O 4.464375 -0.800158 1.309209
N 3.705646 0.019653 -0.773465
N -5.902878 -2.203587 -0.306927
N 5.783972 -0.933432 -0.699863
N 7.908085 -1.836627 -0.907304
N 6.887969 -1.861088 1.229607
C -0.106979 1.556414 0.069715
C -3.043647 0.880701 0.191255
C 0.392649 1.639466 -1.241444
C 0.624673 1.006570 1.135297
C -3.366325 0.092646 1.308123
C -3.637563 0.728620 -1.072226
C 2.436329 0.523161 -0.443003
C 1.671036 1.113376 -1.493783
C 1.904933 0.479451 0.880336
C -4.316733 -0.935956 1.142652
C -4.588969 -0.298664 -1.240072
C -4.901973 -1.115297 -0.130596
C 4.660332 -0.599039 0.050013
C 6.832101 -1.536231 -0.101186
H -0.191770 2.127337 -2.028146
H 0.213373 1.016562 2.150224
H -2.907245 0.300876 2.279845
H -3.379775 1.415037 -1.885249
H 2.087296 1.166281 -2.506762
H 2.509050 0.042526 1.677344
H -4.612752 -1.587169 1.968800
H -5.088568 -0.472449 -2.196360
H 4.018718 0.101536 -1.744160
H 8.749600 -2.289296 -0.561834
H 7.833683 -1.579142 -1.888322
H 6.041545 -1.605379 1.769934
H 7.692463 -2.314624 1.656386


