%chk=000198311.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000198311

0 1
S 2.989426 -0.956177 -1.650902
P 3.707364 -0.465856 0.035224
O 5.336700 -0.437343 0.176675
O 3.412211 -1.216642 1.442814
O 3.573509 1.249150 0.364670
O -1.744024 1.915514 0.819347
O -6.969811 -1.338208 -0.180727
O -5.708697 -2.318781 -1.638980
N 1.475014 0.419127 0.486102
N 0.177086 0.511322 0.576924
N -5.904947 -1.498770 -0.756392
C 6.090292 0.169308 -0.928426
C 2.480460 -2.352156 1.434821
C 2.265249 1.549670 0.474366
C -2.667664 0.962914 0.389275
C 1.742356 2.862565 0.554842
C 7.527690 0.007403 -0.474146
C 3.181876 -3.601290 0.945346
C -0.383927 1.753517 0.638686
C -3.907249 1.128570 1.040340
C -2.462153 0.018114 -0.621962
C -4.777398 -0.640172 -0.357299
C 0.365282 2.964723 0.636381
C -4.967046 0.317711 0.658773
C -3.532994 -0.792132 -0.993596
H 5.883012 -0.383884 -1.865395
H 5.797888 1.232175 -1.021740
H 2.245267 -2.395203 2.519600
H 1.559471 -2.112715 0.867785
H 2.405665 3.727680 0.547992
H 8.228821 0.439864 -1.196450
H 7.692242 0.492277 0.499054
H 7.784334 -1.052826 -0.338391
H 2.680513 -4.504846 1.316407
H 3.203120 -3.679946 -0.151343
H 4.223467 -3.642670 1.296978
H -4.014110 1.878971 1.823831
H -1.489798 -0.103473 -1.105793
H -0.151230 3.924369 0.699179
H -5.948927 0.410062 1.139212
H -3.414040 -1.547716 -1.780783


%chk=000198311-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000198311

0 1
S 3.763528 -1.105692 -2.135963
P 4.131077 -0.597208 -0.176413
O 5.743796 -0.302156 0.313921
O 3.717373 -1.626956 1.119049
O 3.527205 1.057644 0.302097
O -1.864990 1.945216 0.395425
O -7.601415 -0.745479 -0.029457
O -6.320098 -2.608512 -0.341357
N 1.341670 0.228361 0.193473
N -0.020236 0.419474 0.212562
N -6.457695 -1.340399 -0.131823
C 6.599723 0.581401 -0.540354
C 2.653986 -2.673493 0.922637
C 2.172653 1.298383 0.315956
C -2.926065 1.022396 0.250955
C 1.711801 2.638662 0.472487
C 8.018659 0.427772 -0.003859
C 3.283550 -3.999109 0.499236
C -0.496472 1.680053 0.359792
C -4.197977 1.641456 0.356537
C -2.800130 -0.370800 0.019333
C -5.235233 -0.520026 0.000016
C 0.332498 2.832969 0.497126
C -5.362194 0.869941 0.231757
C -3.972738 -1.140917 -0.107360
H 6.514651 0.253913 -1.594603
H 6.228678 1.618463 -0.446033
H 2.189794 -2.730879 1.920802
H 1.909972 -2.295638 0.199571
H 2.425561 3.459370 0.567212
H 8.706495 1.071508 -0.582760
H 8.069297 0.726014 1.056734
H 8.357672 -0.617898 -0.091289
H 2.504319 -4.784600 0.480841
H 3.724975 -3.927542 -0.509585
H 4.067012 -4.306498 1.212812
H -4.247396 2.719064 0.534552
H -1.810505 -0.821019 -0.054850
H -0.121637 3.819487 0.612331
H -6.356968 1.315194 0.308898
H -3.919895 -2.217719 -0.288108


