%chk=000269358.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000269358

0 1
S 5.392574 -0.102801 1.973316
S -5.389546 0.128251 1.973071
O 3.453950 -0.972870 -2.134010
O -3.451958 0.942245 -2.146303
N 3.484335 -0.059692 0.000436
N -3.481853 0.058329 0.000435
N 5.849255 -0.018181 -0.630470
N -5.846953 0.008518 -0.629217
C 1.374305 -0.221284 -1.180250
C -1.372095 0.203741 -1.182846
C 7.059168 -0.066649 1.446453
C -7.056285 0.085144 1.447195
C 7.111500 -0.037597 0.023909
C -7.109014 0.036890 0.025188
C 0.505265 -1.319405 -1.182084
C -0.875893 -1.105466 -1.179498
C 0.878100 1.087847 -1.194824
C -0.503056 1.301734 -1.200028
C 4.862487 -0.059003 0.227188
C -4.859941 0.060821 0.227530
C 2.856812 -0.468695 -1.221442
C -2.854610 0.450582 -1.227069
C 8.215423 -0.067455 2.215609
C -8.212326 0.096448 2.216589
C 8.349845 -0.016478 -0.633068
C -8.347541 0.007016 -0.631101
C 9.444294 -0.044392 1.549370
C -9.441384 0.064505 1.551061
C 9.507353 -0.020455 0.145051
C -9.504834 0.021608 0.147211
H 0.903699 -2.336555 -1.198387
H -1.560590 -1.956015 -1.192509
H 1.562797 1.938133 -1.219710
H -0.901498 2.318562 -1.230260
H 2.895692 0.263812 0.775435
H -2.893033 -0.254620 0.779627
H 8.171191 -0.087424 3.303191
H -8.167792 0.131101 3.303789
H 8.388316 0.000844 -1.722496
H -8.386313 -0.025017 -1.720186
H 10.368736 -0.046405 2.125797
H -10.365666 0.074390 2.127663
H 10.482110 -0.005032 -0.344219
H -10.479726 -0.000329 -0.341538


%chk=000269358-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000269358

0 1
S 5.984233 1.411823 1.409847
S -5.981267 -1.388462 1.437996
O 3.219469 -1.852555 -0.699859
O -3.218162 1.846699 -0.710167
N 3.723400 0.263467 0.213235
N -3.720589 -0.262463 0.219397
N 5.904509 -0.576161 -0.445626
N -5.901825 0.564460 -0.454192
C 1.390293 -0.309534 -0.292123
C -1.388191 0.307174 -0.292888
C 7.533517 0.688292 0.801356
C -7.530683 -0.677002 0.815781
C 7.263703 -0.347471 -0.157006
C -7.260986 0.341173 -0.161271
C 0.423969 -1.346992 -0.311268
C -0.950254 -1.044501 -0.308146
C 0.952301 1.042028 -0.315748
C -0.421919 1.344508 -0.319595
C 5.116686 0.208008 0.241264
C -5.113932 -0.206931 0.247001
C 2.841524 -0.722934 -0.299629
C -2.839462 0.720195 -0.301953
C 8.848405 1.030471 1.165877
C -8.845556 -1.012935 1.186151
C 8.340629 -1.047762 -0.748692
C -8.337989 1.030214 -0.765907
C 9.911749 0.318639 0.563043
C -9.908964 -0.312530 0.570207
C 9.658916 -0.709637 -0.383326
C -9.656242 0.698384 -0.394728
H 0.777191 -2.382395 -0.346533
H -1.669263 -1.870540 -0.366855
H 1.671127 1.867802 -0.380409
H -0.775147 2.379670 -0.361272
H 3.295138 1.069138 0.673200
H -3.291897 -1.063648 0.686769
H 9.052508 1.820468 1.894646
H -9.049582 -1.789537 1.929205
H 8.125170 -1.835986 -1.475550
H -8.122617 1.805098 -1.506999
H 10.943337 0.567176 0.833997
H -10.940537 -0.556346 0.845474
H 10.499847 -1.246226 -0.834907
H -10.497257 1.226364 -0.856195


