%chk=000217972.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000217972

0 1
S 2.203439 0.442162 0.768951
O 0.889899 -3.080488 -0.081577
O 5.691766 -1.145410 -1.112779
O 5.307440 -1.257056 1.092599
N -0.390304 1.392817 0.503715
N 0.048098 -0.944670 0.191246
C -0.036554 2.803681 0.771958
C 0.727534 3.443271 -0.409454
C -1.353986 3.560722 1.058201
C -0.154772 3.608066 -1.652805
C -2.214656 3.729997 -0.199840
C -1.427004 4.403653 -1.331010
C 0.411184 0.411279 0.465961
C 2.445506 -1.347756 0.570949
C 1.085219 -1.920343 0.192755
C 3.475176 -1.622524 -0.509257
C -1.332362 -1.315824 -0.099164
C -2.360434 -0.880241 0.745445
C -1.597364 -2.121393 -1.218593
C 4.865782 -1.327467 -0.027715
C -3.684918 -1.247625 0.458598
C -2.918852 -2.484138 -1.484880
C -3.959558 -2.051280 -0.658716
C -4.786437 -0.782461 1.354332
H 0.610511 2.861652 1.691443
H 1.624634 2.848110 -0.663127
H 1.103207 4.433882 -0.085299
H -1.104085 4.551529 1.482870
H -1.932489 3.022297 1.833768
H -0.432001 2.608981 -2.045644
H 0.416783 4.109932 -2.455011
H -3.119608 4.317269 0.038733
H -2.567234 2.732233 -0.535282
H -1.164740 5.439925 -1.046594
H -2.059478 4.483843 -2.234659
H 2.775012 -1.784820 1.554619
H 3.423760 -2.697985 -0.824948
H 3.263986 -1.051963 -1.446428
H -2.142595 -0.248164 1.605568
H -0.788154 -2.476217 -1.854487
H -3.138598 -3.112795 -2.347964
H -4.983426 -2.341283 -0.883194
H -4.679451 -1.203780 2.364828
H -4.782232 0.312532 1.457359
H -5.781476 -1.068045 0.989767
H 6.635133 -0.961006 -0.851942


%chk=000217972-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000217972

0 1
S 2.324799 0.552434 0.801457
O 0.956008 -3.117181 0.033811
O 5.921742 -1.658646 -0.837130
O 5.291109 -1.279426 1.367026
N -0.331586 1.434153 0.321605
N 0.119732 -0.909227 0.155158
C 0.097384 2.835700 0.545809
C 0.532107 3.480869 -0.802741
C -1.076891 3.625428 1.176017
C -0.653793 3.644863 -1.781620
C -2.260655 3.781988 0.192827
C -1.807777 4.444644 -1.130960
C 0.490029 0.453589 0.387028
C 2.492630 -1.325165 0.654631
C 1.123881 -1.888504 0.249831
C 3.573669 -1.752493 -0.350869
C -1.247607 -1.268920 -0.186471
C -2.307578 -0.864510 0.650808
C -1.491627 -2.035099 -1.348224
C 4.974730 -1.527628 0.183447
C -3.644396 -1.211986 0.335472
C -2.819582 -2.391438 -1.661361
C -3.886909 -1.980986 -0.830476
C -4.783002 -0.769286 1.238461
H 0.967420 2.861582 1.242821
H 1.338818 2.875952 -1.259242
H 0.961620 4.477436 -0.572536
H -0.698150 4.626411 1.467544
H -1.405258 3.116589 2.102055
H -1.026054 2.643549 -2.073223
H -0.307401 4.148643 -2.704703
H -3.065732 4.376631 0.666321
H -2.674479 2.778609 -0.026773
H -1.467464 5.481920 -0.926894
H -2.661925 4.518822 -1.831489
H 2.750748 -1.707071 1.657470
H 3.452392 -2.836903 -0.549649
H 3.461694 -1.233396 -1.318234
H -2.093647 -0.264273 1.540415
H -0.661433 -2.357188 -1.982241
H -3.022038 -2.988656 -2.556899
H -4.915635 -2.260118 -1.087257
H -4.692428 -1.215659 2.246743
H -4.788475 0.329040 1.368260
H -5.762796 -1.066431 0.827179
H 6.835108 -1.535562 -0.459910


