%chk=000262026.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000262026

0 1
S 0.132749 0.091609 2.697608
P 0.028568 -0.522348 0.896395
O -1.012075 0.316788 -0.082148
O 1.387735 -0.322943 -0.041010
N -0.364871 -2.166190 0.687601
N -0.587483 -4.239430 -0.375210
N 1.292619 -2.906352 -0.966994
C -2.349292 0.551389 0.456917
C 2.010853 0.998118 -0.021861
C -3.058344 1.247360 -0.706912
C 3.257425 0.798597 -0.885430
C -4.488104 1.617450 -0.332952
C 4.077158 2.081050 -0.959855
C 0.118056 -3.011658 -0.192315
H -2.277601 1.202012 1.349956
H -2.823536 -0.413256 0.715162
H 2.266738 1.276483 1.019075
H 1.306002 1.728241 -0.461256
H -2.482584 2.148502 -1.000954
H -3.042176 0.587002 -1.597337
H 3.866090 -0.028808 -0.466225
H 2.958991 0.467889 -1.899910
H -4.521195 2.300694 0.524511
H -4.994533 2.118280 -1.166909
H -5.083871 0.734085 -0.073807
H 4.416285 2.405747 0.031881
H 4.972297 1.940226 -1.577808
H 3.504994 2.907034 -1.399177
H -0.021155 -5.077452 -0.445720
H -1.363078 -4.371335 0.276040
H 1.381791 -3.468879 -1.801638
H 1.745148 -1.990405 -1.046219


%chk=000262026-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000262026

0 1
S -0.046815 -0.186563 2.614543
P -0.134538 -0.833561 0.644341
O -1.263560 0.063281 -0.337513
O 1.318418 -0.506552 -0.315633
N -0.476466 -2.472597 0.335412
N -0.135165 -4.721344 -0.108141
N 1.584773 -3.214312 -0.682746
C -2.534294 0.532742 0.268989
C 1.849991 0.879183 -0.314871
C -3.072592 1.650398 -0.628856
C 3.249710 0.844721 -0.935783
C -4.427870 2.182578 -0.110775
C 3.867455 2.260185 -1.002279
C 0.329874 -3.417438 -0.143538
H -2.338498 0.894560 1.298403
H -3.241232 -0.318992 0.314607
H 1.881004 1.247168 0.730326
H 1.162196 1.514666 -0.904150
H -2.328119 2.467749 -0.667515
H -3.182642 1.262220 -1.658641
H 3.894566 0.176006 -0.334345
H 3.183013 0.413318 -1.952931
H -4.334360 2.591828 0.912525
H -4.807992 2.988879 -0.763227
H -5.190493 1.381676 -0.085868
H 3.961177 2.703896 0.006179
H 4.875739 2.228092 -1.452057
H 3.246001 2.939611 -1.614948
H 0.277198 -5.458377 -0.673884
H -1.040977 -4.869591 0.329599
H 2.226107 -3.986155 -0.849729
H 1.901991 -2.237778 -0.763997


