%chk=000194668.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000194668

0 1
S 1.486238 2.241251 0.687005
S 0.435552 2.026337 -1.057421
O 4.645515 -1.270191 -0.962705
N 4.612582 -1.142639 1.443474
N -4.496901 -1.058384 0.160705
N -5.550756 -0.664441 0.714380
N -6.576409 -0.526764 1.179906
C 3.484044 0.506483 -0.029233
C 2.355662 0.684560 0.973346
C -1.012843 1.147032 -0.627368
C 4.303481 -0.722688 0.275862
C -1.109412 -0.205559 -0.980165
C -2.070472 1.806861 0.001971
C -3.348819 -0.243208 -0.072447
C -2.279295 -0.910014 -0.708228
C -3.250625 1.113579 0.285366
C 5.493339 -2.436477 -0.995237
H 3.093406 0.437769 -1.072806
H 4.165726 1.388996 -0.027679
H 1.658948 -0.175773 0.962249
H 2.752899 0.736584 2.015749
H -0.274254 -0.711556 -1.471178
H -1.984728 2.861340 0.277453
H -2.377313 -1.962690 -0.977572
H -4.069935 1.631600 0.776242
H 6.465703 -2.216208 -0.545728
H 5.598979 -2.617405 -2.073851
H 4.998117 -3.282271 -0.510260
H 5.175471 -1.971324 1.583468


%chk=000194668-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000194668

0 1
S 1.535710 2.405041 0.726753
S 0.425349 2.068419 -1.264496
O 5.194806 -0.989893 -0.862899
N 3.736957 -1.753884 0.946226
N -4.508079 -1.072694 0.416636
N -5.543447 -0.561716 0.937348
N -6.589863 -0.289330 1.425853
C 3.475497 0.478175 -0.088603
C 2.359609 0.714781 0.935270
C -1.060525 1.150331 -0.705705
C 4.133309 -0.877564 0.071457
C -1.127533 -0.254767 -0.885549
C -2.161377 1.840868 -0.139263
C -3.379108 -0.268571 0.060456
C -2.283480 -0.964651 -0.508605
C -3.318996 1.140537 0.247033
C 5.954681 -2.249472 -0.862132
H 3.070549 0.554065 -1.116753
H 4.252985 1.260437 -0.008870
H 1.581641 -0.062211 0.885401
H 2.749156 0.727820 1.968759
H -0.276662 -0.785059 -1.324398
H -2.103001 2.925073 -0.002145
H -2.352225 -2.048135 -0.641668
H -4.166451 1.680644 0.684842
H 6.452031 -2.417654 0.112573
H 6.711840 -2.122983 -1.648576
H 5.303646 -3.111445 -1.104794
H 4.256881 -2.651362 0.971148


