%chk=000256514.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000256514

0 1
S -4.478646 0.267630 -0.000063
O -5.074587 -0.117181 -1.263022
O -5.074448 -0.115840 1.263373
O 5.895418 1.443363 -0.000523
N 1.237400 -1.303781 0.000525
N -4.466041 1.990106 -0.001001
C -2.808584 -0.156254 0.000091
C -0.102939 -0.833610 0.000345
C -2.133052 -0.334180 -1.213100
C -2.133051 -0.333269 1.213416
C -0.779382 -0.665801 -1.224665
C -0.779384 -0.664881 1.225231
C 2.306760 -0.580123 0.000216
C 3.609157 -1.303595 0.000533
C 2.365176 0.907280 -0.000381
C 4.772214 -0.645097 0.000289
C 3.529066 1.562874 -0.000621
C 4.843757 0.845180 -0.000325
H -2.670586 -0.220067 -2.162954
H -2.670592 -0.218444 2.163184
H -0.254894 -0.816187 -2.167061
H -0.254892 -0.814560 2.167738
H 3.548243 -2.398041 0.000967
H 1.403968 1.429516 -0.000613
H -4.813265 2.469318 -0.829188
H -4.812781 2.470233 0.826854
H 5.740462 -1.152883 0.000511
H 3.600102 2.653692 -0.001056


%chk=000256514-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000256514

0 1
S -4.544955 0.315580 -0.243396
O -4.838595 0.290854 -1.845698
O -5.410077 -0.524490 0.851663
O 5.968489 1.293483 -0.846104
N 1.273109 -1.212256 0.592029
N -4.627790 2.081884 0.273526
C -2.733757 -0.117364 0.007089
C -0.046799 -0.780336 0.371304
C -1.857903 0.046322 -1.078268
C -2.339235 -0.634704 1.253907
C -0.501053 -0.278890 -0.889576
C -0.989346 -0.989058 1.423152
C 2.362623 -0.536944 0.232586
C 3.646407 -1.243285 0.371274
C 2.393540 0.862879 -0.238119
C 4.830351 -0.656440 0.007672
C 3.578636 1.462032 -0.578177
C 4.872830 0.734406 -0.504463
H -2.234143 0.393980 -2.045754
H -3.076252 -0.788935 2.048176
H 0.200176 -0.198819 -1.726537
H -0.635796 -1.423606 2.362359
H 3.593565 -2.267836 0.753675
H 1.453519 1.424458 -0.265958
H -4.933108 2.638964 -0.542506
H -5.275760 2.148368 1.076740
H 5.788118 -1.182450 0.080747
H 3.627804 2.507600 -0.902644


