%chk=000208284.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000208284

0 1
S 1.885547 -1.294545 -2.317509
S 3.863228 -0.027311 1.404420
O -6.226520 0.708881 0.326621
O 7.622951 -0.067985 2.238222
O 5.861489 0.542273 3.348000
N -3.609395 -0.079581 -0.386868
N -2.368212 -0.224686 -0.897859
N 1.162889 -0.328523 -0.027286
N 6.421573 0.096853 2.357397
C -5.289099 0.338773 1.367711
C -6.009478 -0.007693 -0.915890
C -3.847503 0.649565 0.902705
C -4.595888 0.317042 -1.448070
C -5.704755 1.190623 2.556141
C -7.101692 0.511907 -1.836341
C -1.280638 -0.145524 -0.171295
C -0.010839 -0.515020 -0.799077
C 2.247108 -0.693136 -0.689848
C 0.201913 -1.028222 -2.057509
C 3.589290 -0.630161 -0.194442
C 4.774098 -0.988712 -0.808412
C 5.563138 -0.254852 1.250931
C 5.912086 -0.773897 0.020988
H -5.408191 -0.749856 1.569372
H -6.115588 -1.096939 -0.711732
H -3.704990 1.745742 0.788361
H -3.125439 0.301578 1.671385
H -4.387690 -0.256727 -2.378086
H -4.513496 1.395553 -1.703274
H -5.680024 2.261532 2.312587
H -6.742155 0.967917 2.844575
H -5.065909 1.019937 3.428125
H -7.047167 1.603134 -1.950466
H -7.050735 0.057507 -2.830695
H -8.094124 0.298729 -1.413914
H -1.204580 0.168823 0.879233
H -0.549290 -1.246971 -2.801751
H 4.854136 -1.391856 -1.811087
H 6.931650 -0.994072 -0.282966


%chk=000208284-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000208284

0 1
S 1.942823 -1.237331 -2.452290
S 3.807267 -0.039280 1.528029
O -6.275449 0.790637 0.337820
O 7.736944 -0.234495 2.241371
O 5.945553 0.416553 3.530907
N -3.632519 0.072532 -0.455094
N -2.396237 -0.190071 -0.978608
N 1.152184 -0.293186 -0.077336
N 6.469645 -0.026976 2.426601
C -5.286258 0.424946 1.369751
C -6.074567 -0.006151 -0.895574
C -3.846892 0.697993 0.869566
C -4.679542 0.298902 -1.473275
C -5.627770 1.238720 2.617735
C -7.204305 0.371521 -1.851498
C -1.290953 -0.076210 -0.255864
C -0.008575 -0.441169 -0.850530
C 2.257597 -0.652508 -0.722685
C 0.213843 -0.937309 -2.143208
C 3.588899 -0.610105 -0.177038
C 4.810603 -0.956562 -0.777249
C 5.578862 -0.306638 1.334576
C 5.937658 -0.785847 0.075856
H -5.377470 -0.665820 1.575919
H -6.124916 -1.086357 -0.629856
H -3.660798 1.794319 0.819646
H -3.140138 0.259878 1.597508
H -4.449910 -0.356244 -2.329690
H -4.659034 1.355027 -1.822122
H -5.574332 2.319863 2.399789
H -6.653094 1.005503 2.949959
H -4.930848 1.007552 3.443475
H -7.168575 1.450392 -2.084563
H -7.128717 -0.198284 -2.795162
H -8.180439 0.152954 -1.387225
H -1.237480 0.276394 0.784524
H -0.532298 -1.133259 -2.908869
H 4.884810 -1.322252 -1.804623
H 6.972128 -0.997533 -0.198276


