%chk=000190729.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000190729

0 1
S 4.029454 -0.925458 -0.518690
O 2.110526 2.355862 -0.000960
O -2.318747 0.974629 0.500675
N -1.883886 -1.255307 -0.014990
N -4.094471 -0.512620 0.467052
N 3.877851 0.801184 -0.329614
C 1.623019 -0.004758 -0.190819
C -0.459368 -1.182698 -0.108608
C 2.306481 -1.227872 -0.381259
C 0.239020 0.036312 -0.051362
C 0.229300 -2.410087 -0.296010
C 1.615812 -2.434221 -0.434223
C 2.603218 1.104576 -0.174262
C -2.729732 -0.156039 0.312245
C -5.081552 0.600742 0.541681
C -5.622998 0.999782 -0.827453
C 3.091432 3.438323 0.019004
H -0.277091 0.993936 0.102930
H -0.323975 -3.346809 -0.333901
H 2.140708 -3.377775 -0.578794
H -2.279159 -2.196497 -0.030139
H -5.903336 0.258528 1.210918
H -4.597207 1.478248 1.037767
H -4.443853 -1.347382 0.000091
H -4.823117 1.364555 -1.486507
H -6.124226 0.172282 -1.340192
H -6.352740 1.814586 -0.735893
H 3.790399 3.290409 0.848478
H 2.448024 4.311847 0.170968
H 3.621816 3.476022 -0.937834


%chk=000190729-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000190729

0 1
S 4.155274 -1.007755 -0.522268
O 2.261231 2.379244 0.064661
O -2.352782 1.163390 0.356578
N -1.867528 -1.123850 0.011151
N -4.083575 -0.408865 0.280520
N 3.994420 0.797139 -0.287055
C 1.711497 0.006252 -0.174857
C -0.452523 -1.088107 -0.110786
C 2.356590 -1.243797 -0.386218
C 0.308605 0.101880 -0.034280
C 0.204457 -2.342382 -0.323297
C 1.600940 -2.431740 -0.461442
C 2.695803 1.086227 -0.132873
C -2.739195 -0.036513 0.223411
C -5.147681 0.591491 0.465322
C -5.993082 0.813790 -0.806638
C 3.313138 3.419178 0.096410
H -0.178934 1.063941 0.130464
H -0.394636 -3.260620 -0.380603
H 2.076126 -3.403982 -0.622803
H -2.283786 -2.054678 -0.053876
H -5.795446 0.283389 1.309156
H -4.639824 1.526934 0.754291
H -4.362568 -1.376508 0.110976
H -5.357459 1.169322 -1.636032
H -6.498680 -0.116179 -1.128804
H -6.773709 1.573487 -0.617641
H 4.024813 3.217878 0.915675
H 2.767912 4.358952 0.262078
H 3.862204 3.436784 -0.860921


