%chk=000244063.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000244063

0 1
S 4.654337 -1.390468 -0.166212
O 1.935064 -2.362360 2.976139
O 2.291151 -0.185254 -1.740476
O -4.625129 -3.138895 -2.718589
O -2.696390 5.307319 2.237586
N 1.384683 -1.452131 0.905699
N 2.724174 1.825568 -0.677047
N 0.250338 -2.211107 0.777016
N 1.476948 1.830003 -0.104104
C 4.623664 -1.260590 1.647261
C 5.400978 0.183030 -0.716403
C 3.342191 -0.607300 2.129566
C 4.545557 0.684391 -1.870190
C 2.166400 -1.584505 2.079499
C 3.082520 0.683471 -1.462668
C -1.652474 -2.931154 -0.500785
C -0.274844 2.850229 1.172680
C -2.507738 -2.603835 -1.571812
C -0.915396 4.068268 1.428588
C -3.685831 -3.337370 -1.727258
C -2.179744 4.043662 2.046463
C -1.986809 -3.969862 0.377411
C -0.886280 1.636788 1.531974
C -0.405248 -2.150651 -0.351781
C 1.061593 2.888385 0.534010
C -4.038578 -4.387265 -0.852994
C -2.805532 2.844361 2.412471
C -3.176004 -4.689245 0.194852
C -2.141004 1.643890 2.145070
C -4.376425 -2.092386 -3.686510
C -3.998102 5.418153 2.862128
H 5.514301 -0.726135 2.023888
H 4.708440 -2.304154 2.030993
H 6.440185 -0.010208 -1.047805
H 5.457137 0.913520 0.108560
H 3.124773 0.333203 1.586929
H 3.455555 -0.301601 3.196678
H 4.651761 0.011969 -2.756605
H 4.891367 1.675355 -2.224259
H 1.711917 -0.855353 0.118248
H 3.369521 2.614838 -0.572970
H -2.247968 -1.798237 -2.248853
H -0.474767 5.024244 1.160234
H -1.321063 -4.214492 1.207171
H -0.387042 0.688162 1.326228
H -0.111286 -1.550668 -1.231023
H 1.606276 3.837254 0.649216
H -4.964183 -4.932291 -1.013557
H -3.778895 2.831759 2.890001
H -3.425608 -5.495948 0.884833
H -2.609807 0.696313 2.419594
H -5.261719 -2.166633 -4.330784
H -3.462800 -2.304672 -4.249222
H -4.332343 -1.118511 -3.190505
H -4.146103 6.505868 2.879597
H -3.969089 5.010187 3.876543
H -4.758329 4.929195 2.246188


%chk=000244063-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000244063

0 1
S 4.493287 -1.451684 -0.011773
O 1.994727 -3.407748 2.534172
O 1.227096 0.037263 -0.871727
O -3.873593 -5.178771 -3.941546
O -1.294225 7.339425 3.351635
N 0.909461 -2.320802 0.742932
N 1.969062 2.205353 -0.402499
N 0.166911 -3.428902 0.372292
N 0.853072 2.528942 0.358559
C 4.032520 -1.188868 1.815522
C 4.596760 0.323115 -0.672558
C 2.522253 -1.060570 2.096619
C 3.457314 0.719482 -1.656193
C 1.787012 -2.384497 1.826307
C 2.111501 0.932584 -0.969343
C -1.417529 -4.414700 -1.177607
C -0.335418 4.203427 1.656182
C -2.226699 -4.215823 -2.332583
C -0.336790 5.535807 2.135424
C -3.037551 -5.269358 -2.813708
C -1.404467 6.004345 2.937942
C -1.428866 -5.672846 -0.516133
C -1.416115 3.331614 1.984156
C -0.586071 -3.299500 -0.702722
C 0.792288 3.757295 0.829854
C -3.048727 -6.523553 -2.154283
C -2.479030 5.142015 3.267432
C -2.243040 -6.712465 -1.010928
C -2.468522 3.809553 2.781900
C -3.905502 -3.904141 -4.658814
C -2.370073 7.883256 4.185568
H 4.590278 -0.305450 2.173234
H 4.431929 -2.084365 2.321591
H 5.560743 0.378197 -1.205878
H 4.645825 1.005638 0.194917
H 2.079745 -0.215839 1.542206
H 2.397562 -0.853235 3.177800
H 3.326382 -0.078072 -2.405236
H 3.765354 1.640908 -2.192891
H 0.906112 -1.461152 0.158033
H 2.709805 2.905374 -0.568994
H -2.208039 -3.241778 -2.833966
H 0.479521 6.227868 1.899398
H -0.799000 -5.806496 0.368038
H -1.404312 2.305008 1.607789
H -0.625231 -2.359328 -1.288002
H 1.585548 4.508110 0.627948
H -3.685381 -7.320767 -2.549740
H -3.311860 5.485800 3.887622
H -2.253626 -7.683836 -0.504183
H -3.300319 3.144547 3.038516
H -4.616080 -4.055956 -5.484827
H -2.909213 -3.644452 -5.068328
H -4.262000 -3.081768 -4.007446
H -2.080238 8.925554 4.382325
H -2.454899 7.332686 5.142474
H -3.341348 7.859661 3.654424


