%chk=000221849.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000221849

0 1
S 1.823553 -1.722606 -0.069643
O 2.763332 -2.524801 0.686878
O 1.317258 -2.167825 -1.347279
O -5.495687 0.620491 0.982242
N 0.480667 -1.619032 1.037694
N 3.770256 3.822777 -0.461163
C 2.376825 -0.117789 -0.184899
C -0.824959 -1.183826 0.746156
C 3.398299 0.335567 0.668245
C 1.834740 0.761253 -1.137860
C -1.261087 -0.981745 -0.582199
C -1.711438 -0.926074 1.822024
C -3.423920 -0.226247 0.238158
C -2.547062 -0.509131 -0.820588
C -2.988247 -0.449554 1.559919
C 3.865772 1.637397 0.594412
C 2.279528 2.069652 -1.237488
C 3.305313 2.524113 -0.364987
C -4.800549 0.292667 0.039401
C -5.323049 0.400371 -1.367876
H 0.632196 -1.949619 2.001848
H 3.837437 -0.355196 1.400363
H 1.049800 0.407182 -1.817978
H -0.622491 -1.250463 -1.429166
H -1.395819 -1.095081 2.847832
H -2.869566 -0.364293 -1.853493
H -3.678832 -0.236937 2.384350
H 4.656538 1.974413 1.258122
H 1.851512 2.738991 -1.977905
H 3.357502 4.480284 -1.097697
H 4.460608 4.179643 0.174309
H -5.308971 -0.567734 -1.883745
H -4.743135 1.112869 -1.966034
H -6.366322 0.752483 -1.365953


%chk=000221849-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000221849

0 1
S 1.725172 -1.563344 0.348408
O 2.740896 -2.389618 1.320329
O 1.088363 -2.212042 -1.003893
O -6.029597 -1.149223 0.299619
N 0.309000 -1.063185 1.638016
N 4.286200 3.684393 -1.221130
C 2.489041 0.062565 -0.118929
C -1.011705 -0.941459 1.148671
C 3.327161 0.709339 0.808849
C 2.235104 0.576945 -1.404352
C -1.325713 0.099227 0.227346
C -2.055789 -1.798602 1.610191
C -3.695340 -0.560012 0.263120
C -2.646325 0.275895 -0.214166
C -3.377215 -1.593398 1.188515
C 3.927151 1.922882 0.436840
C 2.839792 1.790443 -1.772110
C 3.690814 2.484848 -0.857253
C -5.121790 -0.399395 -0.171089
C -5.464405 0.681878 -1.192615
H 0.429176 -1.818273 2.340912
H 3.516673 0.264749 1.790687
H 1.598875 0.021495 -2.101432
H -0.530045 0.771562 -0.109680
H -1.816361 -2.615677 2.301842
H -2.865600 1.081189 -0.922851
H -4.192101 -2.233435 1.542598
H 4.585487 2.441566 1.142910
H 2.662742 2.203659 -2.771596
H 4.132964 4.086374 -2.141821
H 4.902987 4.177352 -0.581372
H -4.909381 0.528699 -2.136854
H -5.201695 1.686757 -0.811821
H -6.544534 0.648045 -1.399887


