%chk=000200985.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000200985

0 1
S -3.941998 0.356112 -0.827222
S 2.356337 1.330366 -2.206791
P 2.998234 0.116563 -0.882811
O 1.793262 -0.354172 0.250353
O -4.212353 1.759431 -1.062888
O -4.356412 -0.664450 -1.769458
N 3.564283 -1.381082 -1.526870
N 4.195508 0.754922 0.188386
N -4.693459 -0.037608 0.677879
C -2.238798 0.166143 -0.543108
C 0.474457 -0.141491 -0.089005
C -1.481281 1.250766 -0.086849
C -1.625406 -1.064039 -0.803498
C 4.015779 -2.468157 -0.621922
C 4.356933 0.111708 1.528452
C -0.115967 1.107275 0.160423
C -0.261202 -1.236402 -0.572465
C -4.599820 -1.456870 1.086773
C -4.467240 0.927606 1.776779
C 2.879412 -3.260395 0.022491
C 5.404832 0.873724 2.334625
H 3.055999 -1.744388 -2.356907
H 4.242689 1.792765 0.242260
H -1.958336 2.226136 0.068975
H -2.216350 -1.897302 -1.202924
H 4.655454 -3.150272 -1.233782
H 4.692244 -2.051075 0.169499
H 3.400522 0.063552 2.101622
H 4.700704 -0.945399 1.367735
H 0.480444 1.944864 0.515614
H 0.228016 -2.187370 -0.762192
H -4.892013 -2.101419 0.233961
H -5.327348 -1.658329 1.893384
H -3.603797 -1.760724 1.445243
H -4.660931 1.953972 1.405965
H -3.458195 0.886481 2.216089
H -5.197670 0.745464 2.585347
H 2.245170 -2.628281 0.662908
H 2.225650 -3.723900 -0.724843
H 3.269868 -4.068388 0.652429
H 6.348632 0.970279 1.778908
H 5.074682 1.886746 2.593657
H 5.631264 0.355039 3.274080


%chk=000200985-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000200985

0 1
S -3.981938 -1.287786 -0.343923
S 2.421039 2.660356 -0.212479
P 3.087548 0.698385 -0.068171
O 1.932854 -0.443357 0.710926
O -4.277941 -0.879343 -1.890131
O -4.340318 -2.744812 0.284935
N 3.563462 0.043807 -1.583582
N 4.395715 0.225171 0.960136
N -4.983974 -0.046258 0.692048
C -2.143637 -0.984949 -0.030021
C 0.568406 -0.552631 0.415680
C -1.461614 -0.076867 -0.857063
C -1.513572 -1.695771 1.008744
C 3.951836 -1.369112 -1.818459
C 4.313913 0.305567 2.440269
C -0.086510 0.146051 -0.631963
C -0.142092 -1.470759 1.232381
C -4.788460 -0.300171 2.137942
C -4.713464 1.339796 0.245553
C 2.844535 -2.196800 -2.501509
C 5.482516 -0.474754 3.065584
H 3.282273 0.598551 -2.397220
H 5.316121 0.443428 0.561463
H -1.986008 0.424395 -1.677193
H -2.075195 -2.426126 1.600043
H 4.872016 -1.374970 -2.434413
H 4.212275 -1.804774 -0.837904
H 4.326624 1.359933 2.789150
H 3.351309 -0.137794 2.743818
H 0.456339 0.869499 -1.246039
H 0.398294 -2.003194 2.020254
H -4.889595 -1.382093 2.325323
H -5.605085 0.216428 2.674362
H -3.815199 0.066062 2.536957
H -4.771962 1.376541 -0.854911
H -3.734594 1.745321 0.588282
H -5.519962 1.977377 0.651039
H 1.935418 -2.229102 -1.876412
H 2.573716 -1.771594 -3.485700
H 3.190155 -3.234006 -2.665905
H 5.453924 -1.533548 2.755856
H 6.459022 -0.049502 2.764842
H 5.423606 -0.428191 4.167711


