%chk=000224677.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000224677

0 1
S 4.861489 0.458644 -0.666358
O -4.359877 -0.892682 -0.082845
O -4.544819 1.302293 -0.560218
O 2.324172 2.628447 0.222857
O 3.807255 -1.700651 0.471782
N 1.794296 0.410876 0.625458
N 5.106543 -2.092635 -1.377615
C 0.388762 0.442546 0.388927
C -2.374656 0.365848 -0.029312
C -0.310852 -0.779989 0.523497
C -0.297722 1.621705 0.043716
C -1.684852 -0.809367 0.314803
C -1.672976 1.577098 -0.163002
C -3.831294 0.369218 -0.257869
C 2.675106 1.504831 0.513231
C 4.119996 1.159935 0.816713
C -5.810532 -1.027200 -0.280676
C -6.078242 -2.492532 -0.012396
C 4.508634 -1.297900 -0.433138
H 0.216148 -1.694718 0.788661
H 0.243327 2.569077 -0.063498
H -2.240050 -1.747077 0.416457
H -2.219630 2.487380 -0.431995
H 2.194416 -0.520230 0.852494
H 4.231882 0.489335 1.696696
H 4.679292 2.091778 1.070074
H -6.310014 -0.347721 0.431375
H -6.036728 -0.717271 -1.315455
H -7.142769 -2.728293 -0.127580
H -5.511609 -3.135622 -0.699573
H -5.776271 -2.774786 1.005557
H 4.962089 -3.094692 -1.361379
H 5.688285 -1.735648 -2.119889


%chk=000224677-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000224677

0 1
S 5.019550 0.407561 -0.750785
O -4.371107 -0.970987 -0.075046
O -4.580797 1.327532 -0.411851
O 2.386248 2.822782 0.303082
O 3.634633 -1.677675 0.435407
N 1.837209 0.537196 0.548459
N 5.141087 -2.254543 -1.242526
C 0.433659 0.535784 0.359546
C -2.378627 0.361414 0.008067
C -0.226803 -0.724811 0.432489
C -0.324297 1.714720 0.108904
C -1.616697 -0.810843 0.259240
C -1.715820 1.614118 -0.064029
C -3.851900 0.327956 -0.182244
C 2.712952 1.615037 0.501041
C 4.175248 1.219738 0.747150
C -5.848003 -1.090035 -0.250186
C -6.194277 -2.566331 -0.084394
C 4.497400 -1.355606 -0.432425
H 0.359597 -1.631156 0.626034
H 0.185122 2.678005 0.054648
H -2.125632 -1.776657 0.315921
H -2.315501 2.509612 -0.258085
H 2.290788 -0.385105 0.683540
H 4.283700 0.512941 1.586686
H 4.760944 2.131480 0.930537
H -6.341847 -0.451437 0.504727
H -6.113129 -0.701763 -1.250473
H -7.283476 -2.710726 -0.205574
H -5.676325 -3.180520 -0.840984
H -5.905454 -2.928948 0.917126
H 4.883576 -3.239366 -1.175888
H 5.866777 -1.969369 -1.898613


