%chk=000211308.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000211308

0 1
S -0.185731 -1.152330 1.189035
O -0.952123 1.836155 -1.248941
N -2.067270 0.215675 -0.023906
N 2.457516 -0.839477 -0.191056
N -3.006913 -1.487157 1.237586
C 0.320710 0.277385 0.145731
C 1.308163 -0.231102 -0.912419
C -0.914348 0.906649 -0.484917
C -1.881347 -0.910349 0.875044
C -3.474515 0.320075 -0.216865
C 2.758434 -2.239037 -0.616301
C -4.041581 -0.745595 0.575093
C 3.569363 0.005669 0.121954
C -4.264737 1.190971 -0.962236
C 3.463683 -2.339706 -1.966985
C -5.425780 -0.926160 0.608724
C 3.509844 1.404439 -0.053059
C 4.716124 -0.561845 0.726140
C -5.644759 0.985317 -0.908666
C -6.212117 -0.049830 -0.140571
C 4.565621 2.208062 0.382141
C 5.758214 0.257344 1.152511
C 5.692210 1.645523 0.985378
H 0.817840 1.028378 0.816557
H 1.608408 0.616002 -1.577994
H 0.817268 -0.978011 -1.577881
H 3.382478 -2.708762 0.181058
H 1.801191 -2.808508 -0.630341
H -3.820631 1.989898 -1.553676
H 2.856709 -1.934912 -2.784155
H 4.414667 -1.789877 -1.968629
H 3.691484 -3.382826 -2.216380
H -5.862784 -1.726938 1.203944
H 2.655575 1.875726 -0.532833
H 4.782351 -1.638135 0.874010
H -6.302944 1.643996 -1.476465
H -7.295885 -0.166868 -0.132735
H 4.506229 3.288053 0.244305
H 6.634708 -0.189364 1.622354
H 6.509375 2.277172 1.321644


%chk=000211308-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000211308

0 1
S -0.246064 -1.424672 1.237096
O -0.860839 1.898476 -0.985746
N -2.077919 0.158434 0.051161
N 2.568012 -0.816282 -0.478437
N -3.105203 -1.613148 1.111229
C 0.330342 0.111676 0.229929
C 1.287553 -0.290347 -0.938541
C -0.910353 0.846611 -0.298615
C -1.953690 -1.031741 0.828043
C -3.464731 0.343547 -0.174075
C 2.804693 -2.273266 -0.596573
C -4.086543 -0.768179 0.492179
C 3.575056 0.059068 -0.013161
C -4.190646 1.327925 -0.862507
C 3.597549 -2.668775 -1.864031
C -5.487400 -0.902598 0.470193
C 3.371389 1.475737 0.024358
C 4.835231 -0.439011 0.443951
C -5.598167 1.175342 -0.872747
C -6.232211 0.082847 -0.220109
C 4.380096 2.338623 0.500364
C 5.829763 0.437227 0.921462
C 5.617867 1.834633 0.957944
H 0.869886 0.764545 0.936822
H 1.419034 0.612865 -1.566792
H 0.786700 -1.048813 -1.564003
H 3.323726 -2.637660 0.309753
H 1.820147 -2.773994 -0.601054
H -3.694656 2.165036 -1.360060
H 3.048255 -2.377848 -2.777625
H 4.583334 -2.173141 -1.888872
H 3.757515 -3.762669 -1.892713
H -5.971913 -1.743511 0.974101
H 2.437047 1.922206 -0.329203
H 5.049134 -1.511184 0.426009
H -6.211544 1.916986 -1.395204
H -7.324121 0.003803 -0.252356
H 4.189505 3.418046 0.511038
H 6.783243 0.018963 1.264735
H 6.395624 2.509947 1.328256


