%chk=000198956.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000198956

0 1
S -2.879060 -0.215850 1.772764
S 1.097962 1.745420 2.260551
O 1.665251 1.576143 3.584407
O 0.736822 3.053624 1.794713
O 4.153745 -1.163663 -1.768648
N -2.091389 0.333352 -0.620148
N -0.406466 0.832261 2.493807
N -1.071299 0.735114 0.166774
C -4.400088 -0.712112 -0.625251
C -3.127964 -0.189484 -0.001414
C -5.096883 0.459981 -1.339223
C -5.330073 -1.294023 0.451646
C -4.025311 -1.809468 -1.637590
C -1.279362 0.536387 1.484165
C 1.990844 0.874402 1.113237
C 2.925868 -0.081620 1.539560
C 1.812425 1.114200 -0.265385
C 3.685358 -0.799979 0.622131
C 2.557856 0.413608 -1.201778
C 3.490410 -0.545491 -0.748880
C 5.142468 -2.174278 -1.440226
H -6.018670 0.135367 -1.831745
H -5.356482 1.264198 -0.641943
H -4.448205 0.899246 -2.109523
H -4.870056 -2.129978 0.990654
H -5.642760 -0.540003 1.183236
H -6.249500 -1.684392 -0.003210
H -4.912101 -2.204405 -2.142905
H -3.349800 -1.421552 -2.412475
H -3.513523 -2.648876 -1.154992
H -0.695282 0.597072 3.454481
H 3.068352 -0.261660 2.613514
H 1.077466 1.860736 -0.603671
H 4.405863 -1.533971 0.965846
H 2.428775 0.577966 -2.270829
H 4.670036 -3.011273 -0.918277
H 5.957636 -1.732625 -0.860002
H 5.488340 -2.477276 -2.438270


%chk=000198956-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000198956

0 1
S -3.232862 0.185919 1.718805
S 0.960751 1.619803 1.465841
O 1.538626 2.133509 2.898019
O 0.284398 2.642417 0.407370
O 5.162730 -1.707932 -1.292770
N -2.524720 -0.358398 -0.800734
N -0.398820 0.290406 2.025720
N -1.314809 -0.195763 -0.125840
C -5.042267 -0.452112 -0.513804
C -3.613225 -0.237836 -0.047608
C -5.896132 0.805019 -0.175058
C -5.633342 -1.697812 0.213754
C -5.048918 -0.691631 -2.047244
C -1.465024 0.084711 1.180350
C 2.254428 0.558206 0.636931
C 3.490454 0.438646 1.289298
C 1.954725 -0.050037 -0.598738
C 4.503010 -0.319111 0.663450
C 2.967751 -0.805242 -1.210782
C 4.239338 -0.938310 -0.587390
C 6.497415 -1.892632 -0.708818
H -6.932418 0.654276 -0.528199
H -5.929369 0.991724 0.914271
H -5.488068 1.705579 -0.666981
H -5.034400 -2.600628 -0.000569
H -5.661455 -1.552362 1.309038
H -6.666511 -1.872793 -0.137737
H -6.089934 -0.846405 -2.385282
H -4.624208 0.172242 -2.586063
H -4.450105 -1.578225 -2.314576
H -0.596056 0.505739 3.014844
H 3.658405 0.930012 2.252919
H 0.955883 0.035075 -1.040037
H 5.475430 -0.416966 1.153189
H 2.795921 -1.307516 -2.166629
H 6.437583 -2.409358 0.267964
H 7.018901 -0.923612 -0.591671
H 7.038100 -2.521506 -1.430129


