%chk=000217976.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000217976

0 1
S 2.619884 -0.103547 0.663639
O 0.308171 -3.122802 0.026197
O 5.376745 -2.666169 -1.357248
O 5.127469 -2.633902 0.869941
O -5.392129 -0.820864 -0.601179
N 0.372376 1.528703 0.602768
N 0.126986 -0.835916 0.297084
C 1.121631 2.786613 0.812588
C 1.931363 3.195220 -0.438803
C 0.092161 3.876858 1.189709
C 1.028316 3.601423 -1.609710
C -0.789991 4.282247 0.002457
C 0.055861 4.716275 -1.201671
C 0.870304 0.365901 0.509875
C 2.332591 -1.893820 0.525944
C 0.842248 -2.063469 0.257884
C 3.162978 -2.473659 -0.603753
C -1.313390 -0.802798 0.101637
C -1.868421 -1.459739 -1.017103
C -2.128938 -0.133645 1.024191
C 4.609004 -2.587627 -0.218305
C -3.242056 -1.442583 -1.209651
C -3.513636 -0.105757 0.834696
C -4.055351 -0.759428 -0.278422
C -6.333572 -0.170820 0.286508
H 1.833987 2.660451 1.675314
H 2.605988 2.376911 -0.752715
H 2.590530 4.042700 -0.165337
H 0.639728 4.758524 1.573569
H -0.545820 3.516424 2.019824
H 0.454958 2.719059 -1.959036
H 1.647136 3.928686 -2.465301
H -1.474748 5.095870 0.302274
H -1.430784 3.422329 -0.284016
H 0.616218 5.638747 -0.959626
H -0.602849 4.971300 -2.052587
H 2.595328 -2.383877 1.504601
H 2.781477 -3.493195 -0.876439
H 3.061772 -1.882800 -1.546584
H -1.222726 -1.994160 -1.716110
H -1.689701 0.378033 1.882450
H -3.704983 -1.944372 -2.057419
H -4.141261 0.418399 1.547808
H 6.348617 -2.759851 -1.160836
H -6.296381 -0.626400 1.280136
H -7.290387 -0.384830 -0.208088
H -6.142703 0.905460 0.321245


%chk=000217976-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000217976

0 1
S 2.782283 -0.046409 0.707766
O 0.377992 -3.187969 0.174161
O 5.478164 -3.210977 -1.079316
O 5.142919 -2.636707 1.147151
O -5.358860 -0.801877 -0.795991
N 0.452280 1.544499 0.377873
N 0.211973 -0.832318 0.265197
C 1.270064 2.771619 0.521049
C 1.675726 3.302671 -0.884495
C 0.448542 3.836632 1.291041
C 0.457670 3.802853 -1.695717
C -0.772636 4.322440 0.476097
C -0.340936 4.868244 -0.906471
C 0.967910 0.372556 0.421828
C 2.401083 -1.896810 0.622486
C 0.902867 -2.054406 0.332172
C 3.239925 -2.631379 -0.435144
C -1.218384 -0.795266 0.017583
C -1.752553 -1.482439 -1.099349
C -2.074251 -0.094395 0.891043
C 4.683307 -2.802996 -0.003420
C -3.136473 -1.465829 -1.337428
C -3.465112 -0.067202 0.655080
C -3.998339 -0.757171 -0.462836
C -6.295686 -0.098165 0.083883
H 2.200756 2.550160 1.094102
H 2.218121 2.511050 -1.436027
H 2.386814 4.140341 -0.731559
H 1.119007 4.693565 1.507280
H 0.126793 3.418839 2.263856
H -0.206243 2.945765 -1.921274
H 0.800614 4.216650 -2.663794
H -1.319058 5.099724 1.044678
H -1.463390 3.469514 0.330052
H 0.289658 5.771617 -0.765436
H -1.229334 5.184116 -1.486869
H 2.615283 -2.318119 1.619933
H 2.804139 -3.640524 -0.583210
H 3.206631 -2.119332 -1.412147
H -1.091246 -2.039207 -1.768463
H -1.656394 0.441719 1.746928
H -3.571454 -1.993679 -2.190847
H -4.111834 0.484726 1.342930
H 6.414447 -3.344926 -0.767630
H -6.270865 -0.512071 1.110636
H -7.287585 -0.266693 -0.360034
H -6.080333 0.987667 0.115051


