%chk=000246870.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000246870

0 1
S -0.462530 0.409040 -2.155986
P -0.795535 0.106774 -0.294464
O 0.261359 0.892317 0.749809
N -2.327398 0.714377 0.281470
N -0.692775 -1.554598 0.229973
C -2.716602 2.156648 0.113974
C -1.092565 -2.687115 -0.674224
C -2.436258 1.582561 1.495616
C -1.905120 -2.361171 0.570904
C -4.124808 2.393728 -0.358940
C -0.145093 -3.855490 -0.700099
C 1.621846 0.620369 0.559768
C 2.193601 -0.482045 1.206770
C 2.374646 1.544047 -0.175813
C 3.576543 -0.652655 1.110685
C 3.755669 1.347615 -0.255623
C 4.355024 0.256775 0.384755
H -1.997080 2.878185 -0.314393
H -1.533436 -2.475857 -1.666835
H -1.553017 1.898073 2.062117
H -3.260633 1.320685 2.167911
H -2.918515 -1.954802 0.489057
H -1.801727 -2.968209 1.477587
H -4.497714 3.366380 -0.014912
H -4.173751 2.377355 -1.458058
H -4.821754 1.621168 -0.003417
H -0.673784 -4.786155 -0.939929
H 0.639351 -3.702746 -1.456285
H 0.369881 -3.997958 0.260873
H 1.568829 -1.184211 1.758350
H 1.890372 2.382181 -0.673029
H 4.049779 -1.500798 1.603794
H 4.366566 2.048086 -0.824154
H 5.431230 0.112847 0.314750


%chk=000246870-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000246870

0 1
S -0.989198 0.481440 -2.467694
P -1.174066 0.131139 -0.430752
O 0.119425 0.808356 0.598768
N -2.608332 0.795464 0.317132
N -1.217005 -1.559234 0.155911
C -2.787915 2.280028 0.549768
C -0.454430 -2.609549 -0.657069
C -2.635505 1.330803 1.733512
C -1.966550 -2.567192 -0.711464
C -4.122848 2.865314 0.137162
C 0.311798 -3.634656 0.152761
C 1.493419 0.517235 0.395526
C 2.140657 -0.321423 1.331660
C 2.205362 1.114326 -0.670506
C 3.528615 -0.554015 1.203683
C 3.591062 0.863954 -0.791593
C 4.256383 0.034661 0.142039
H -1.906783 2.901858 0.337949
H 0.047522 -2.227440 -1.558880
H -1.690455 1.347182 2.286347
H -3.522447 1.025546 2.298603
H -2.430137 -2.197173 -1.635188
H -2.557194 -3.280365 -0.127932
H -4.310149 3.813753 0.673923
H -4.136651 3.070102 -0.947881
H -4.942267 2.162129 0.364147
H 0.503281 -4.537146 -0.456900
H 1.283977 -3.223404 0.478281
H -0.258690 -3.930928 1.049748
H 1.555544 -0.767001 2.142705
H 1.675693 1.751654 -1.384643
H 4.039829 -1.192952 1.932532
H 4.150671 1.321741 -1.614835
H 5.331984 -0.148805 0.045180


