%chk=000198972.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000198972

0 1
S 1.397828 -0.052559 -1.966201
P 2.105852 0.292250 -0.230976
O 1.167058 -0.145877 1.077910
O 3.538506 -0.389928 0.159450
O 2.395201 1.846029 0.180898
O -0.130425 -2.156794 -0.156395
N -5.531384 0.298318 0.292401
C -0.201126 -0.029917 0.848418
C -0.908123 -1.090964 0.213393
C -0.874338 1.079027 1.356995
C 3.697868 -1.822974 -0.077799
C 3.113740 2.661981 -0.807771
C -2.293772 -0.999500 0.061641
C -2.265021 1.161063 1.216721
C -2.959139 0.131760 0.567965
C 2.893526 -2.639981 0.910337
C 3.165011 4.021281 -0.138633
C -0.647108 -3.017122 -1.207790
C -4.384311 0.224518 0.415419
H 3.466523 -2.062145 -1.133455
H 4.791762 -1.918524 0.091614
H 4.122430 2.232852 -0.958578
H 2.543441 2.684309 -1.757373
H -0.310409 1.872670 1.853081
H -2.856804 -1.788287 -0.433388
H -2.799662 2.027031 1.607593
H 3.242682 -3.677995 0.949298
H 2.969790 -2.227558 1.928422
H 1.815522 -2.668245 0.672428
H 3.740918 4.739825 -0.732888
H 2.156716 4.431092 0.011971
H 3.626020 3.953200 0.857903
H -0.905899 -2.423691 -2.091236
H -1.492440 -3.598456 -0.832156
H 0.221368 -3.656590 -1.413119


%chk=000198972-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000198972

0 1
S 1.814350 0.104389 -2.329526
P 2.237718 0.351127 -0.325131
O 1.058805 -0.182048 0.867218
O 3.652733 -0.404089 0.293332
O 2.449087 1.953389 0.270230
O -0.365061 -2.293482 -0.094152
N -5.738154 0.424156 0.207092
C -0.324579 -0.023873 0.661621
C -1.086641 -1.140970 0.202451
C -0.954720 1.189058 0.997410
C 4.015878 -1.770658 -0.201111
C 3.357171 2.873005 -0.486654
C -2.488073 -1.012609 0.087513
C -2.352786 1.319736 0.883165
C -3.119632 0.215941 0.426898
C 3.222929 -2.859475 0.523877
C 3.146582 4.260532 0.110277
C -1.106622 -3.435905 -0.644337
C -4.549764 0.330922 0.306405
H 3.859422 -1.804606 -1.297213
H 5.094871 -1.826887 0.017204
H 4.395882 2.518644 -0.353312
H 3.090121 2.836739 -1.560566
H -0.331034 2.017539 1.346513
H -3.102683 -1.845794 -0.262396
H -2.848469 2.258715 1.143459
H 3.575353 -3.853243 0.187878
H 3.371483 -2.787462 1.614605
H 2.142137 -2.776967 0.315445
H 3.811866 4.986556 -0.392504
H 2.102889 4.590898 -0.024641
H 3.381105 4.261113 1.187980
H -1.606715 -3.164302 -1.592829
H -1.849893 -3.815446 0.082324
H -0.343757 -4.204545 -0.832424


