%chk=000216071.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000216071

0 1
S 0.320213 -2.301674 0.445364
S -3.100797 -0.259298 -0.499000
O 0.737762 -3.598105 -0.033573
O -0.232357 -2.130799 1.776190
O -4.238834 -0.244198 0.394242
O -3.272935 -0.277042 -1.931160
N -0.968740 -1.759439 -0.624860
N -2.262864 -1.725085 -0.035474
C 1.565965 -1.160367 0.152553
C -2.051596 1.056488 -0.072398
C 1.491487 0.129142 0.691122
C 2.680587 -1.531302 -0.613943
C 3.636695 0.677125 -0.302966
C 2.519455 1.045257 0.465414
C 3.708988 -0.621314 -0.843038
C -1.198709 1.606549 -1.032506
C -2.092619 1.587569 1.220309
C 4.745947 1.642683 -0.546538
C -0.375270 2.687257 -0.697617
C -1.267441 2.664176 1.558381
C -0.412305 3.215256 0.596928
H -1.056376 -2.317065 -1.509005
H -2.269246 -1.970083 0.981866
H 0.626364 0.427486 1.295082
H 2.746621 -2.545434 -1.028916
H 2.452371 2.045666 0.889302
H 4.572917 -0.915362 -1.437426
H -1.179868 1.198026 -2.049613
H -2.779226 1.171611 1.966968
H 4.952768 1.760731 -1.621279
H 4.542754 2.645576 -0.147389
H 5.682248 1.297365 -0.079389
H 0.285862 3.119290 -1.446963
H -1.300686 3.080263 2.564418
H 0.221469 4.063651 0.857112


%chk=000216071-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000216071

0 1
S 2.976942 -1.491599 -1.087276
S -3.911567 2.269721 0.871787
O 2.305387 -2.931046 -1.500418
O 2.665665 -1.118442 0.747806
O -4.508468 0.970383 1.676449
O -3.851515 1.918926 -0.987297
N -1.052043 0.511727 -0.509791
N -0.088004 0.090571 -0.066223
C 4.776489 -1.917310 -0.744120
C -5.406584 3.400342 0.659593
C 5.653585 -0.946638 -0.229253
C 5.193205 -3.224516 -1.047883
C 7.466878 -2.617342 -0.312165
C 7.003408 -1.308891 -0.016851
C 6.542779 -3.566569 -0.827151
C -5.303065 4.574796 -0.108863
C -6.584221 3.020272 1.324602
C 8.915538 -3.005053 -0.077115
C -6.441589 5.407674 -0.207114
C -7.714530 3.861134 1.215018
C -7.641454 5.052139 0.454336
H -3.017581 1.385486 -1.135327
H 1.750025 -0.712422 0.779446
H 5.299297 0.057450 0.024712
H 4.460383 -3.944778 -1.430840
H 7.700694 -0.567626 0.389846
H 6.885130 -4.583103 -1.054401
H -4.376426 4.827147 -0.634211
H -6.601028 2.082831 1.893523
H 9.389078 -3.370140 -1.007371
H 9.510724 -2.153405 0.293238
H 8.993017 -3.819758 0.667012
H -6.392342 6.324638 -0.803736
H -8.647048 3.586584 1.719093
H -8.520152 5.701419 0.373139


