%chk=000210357.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000210357

0 1
S 6.337275 -0.411697 -1.357239
S 7.059125 -0.724197 0.542935
O 5.814566 -1.708196 1.092410
O 8.211204 -1.560090 0.491939
O 6.985237 0.482582 1.291493
N 2.574100 0.861456 -0.485065
C -1.226233 0.526964 -0.081181
C 0.154443 1.191972 -0.103340
C -2.337727 1.553490 0.189495
C 1.257628 0.157503 -0.378770
C -3.685727 0.885376 0.207596
C 3.708953 -0.102496 -0.636084
C -4.214254 0.386150 1.407537
C -4.424183 0.746564 -0.977394
C -6.205197 -0.369700 0.239603
C -5.463824 -0.236294 1.423305
C -5.673593 0.124103 -0.961421
C 4.929380 0.707816 -1.068054
C -7.551439 -1.043572 0.256106
C -7.416956 -2.546977 0.014358
H -1.420795 0.016736 -1.045347
H -1.258694 -0.266826 0.690722
H 0.187306 1.982435 -0.881232
H 0.342799 1.709581 0.856691
H -2.312137 2.351706 -0.580089
H -2.149860 2.072631 1.151015
H 1.065426 -0.350414 -1.350661
H 1.247374 -0.632120 0.403528
H 2.726088 1.439796 0.350025
H 3.445681 -0.851023 -1.418567
H 3.920277 -0.683377 0.293485
H -3.648675 0.483078 2.332151
H -4.022090 1.125016 -1.915256
H -5.862884 -0.621114 2.359788
H -6.236513 0.020601 -1.887066
H 4.735074 1.236346 -2.028070
H 5.193779 1.496653 -0.333121
H -8.062249 -0.862176 1.223996
H -8.216145 -0.596869 -0.511560
H -6.948457 -2.755291 -0.955084
H -8.394565 -3.040524 0.025553
H -6.794364 -3.020968 0.782710
H 6.064846 -2.519131 1.565859


%chk=000210357-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000210357

0 1
S 6.348795 -0.436942 -1.636644
S 7.451460 -0.514093 0.585706
O 6.979380 -2.269133 0.998024
O 9.067042 -0.433792 0.602892
O 6.610907 0.475165 1.563848
N 2.553816 0.616296 -0.384101
C -1.300435 0.500707 -0.072163
C 0.121843 1.101322 -0.116195
C -2.401271 1.574458 0.152810
C 1.201604 0.028324 -0.357224
C -3.797221 0.969105 0.190354
C 3.673940 -0.268487 -0.729478
C -4.356829 0.496990 1.404999
C -4.560000 0.815311 -0.995737
C -6.389000 -0.276327 0.244581
C -5.629777 -0.114419 1.431764
C -5.832577 0.204052 -0.968913
C 4.908995 0.595317 -1.041036
C -7.738259 -0.981755 0.262650
C -7.611261 -2.503070 -0.021174
H -1.510088 -0.035205 -1.019792
H -1.365983 -0.256370 0.735005
H 0.190195 1.863344 -0.916852
H 0.327441 1.625747 0.841406
H -2.332536 2.326555 -0.657751
H -2.189954 2.105616 1.102072
H 1.026185 -0.463071 -1.334920
H 1.108847 -0.770217 0.419763
H 2.748053 1.237087 0.412415
H 3.387763 -0.851386 -1.625825
H 3.934618 -1.004705 0.066415
H -3.793053 0.617404 2.339147
H -4.155695 1.186021 -1.946528
H -6.043881 -0.464810 2.385878
H -6.406469 0.104158 -1.899188
H 4.699803 1.348577 -1.823530
H 5.250525 1.131382 -0.130615
H -8.224468 -0.838888 1.246757
H -8.409332 -0.530502 -0.493519
H -7.156781 -2.681810 -1.012620
H -8.602078 -2.993499 -0.002226
H -6.969327 -2.991642 0.734163
H 7.619065 -2.587312 1.703081


