%chk=000215560.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000215560

0 1
S 1.123960 1.244953 -1.147317
P 1.109391 -0.432039 0.107270
O 2.616983 -1.013887 -0.190431
O 0.116343 -1.527828 -0.587861
O 0.707110 -0.143854 1.504362
O -2.160924 1.870409 -1.319119
N -1.827181 1.064435 0.800812
C -3.072360 0.254930 0.806771
C -2.748715 -1.247521 0.840774
C -0.045423 2.351689 -0.292996
C -1.431953 1.733519 -0.350784
C -4.025202 -2.080236 0.879487
C 3.542735 -1.057042 0.935395
C 0.238452 -1.858325 -1.999951
C 4.025742 0.328108 1.317226
C 1.498264 -2.646425 -2.291425
H -3.683234 0.504887 -0.093545
H -3.670063 0.550545 1.697244
H -2.110854 -1.483884 1.716593
H -2.136734 -1.524246 -0.044688
H -1.157762 0.853035 1.555694
H -0.043844 3.305610 -0.867894
H 0.293077 2.603813 0.730768
H -4.628361 -1.860467 1.767816
H -4.654135 -1.899038 -0.000233
H -3.793207 -3.151667 0.899680
H 3.080405 -1.597439 1.783470
H 4.353218 -1.675915 0.495815
H -0.678020 -2.475109 -2.127411
H 0.143407 -0.942755 -2.614949
H 4.960607 0.275129 1.890083
H 3.303173 0.872440 1.942987
H 4.225887 0.946726 0.430232
H 1.474202 -3.068719 -3.303655
H 1.621902 -3.481187 -1.587080
H 2.413515 -2.037744 -2.216639


%chk=000215560-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000215560

0 1
S 1.079830 1.107311 -1.138753
P 1.325774 -0.631865 0.368272
O 2.965077 -1.155978 0.235589
O 0.475479 -1.990330 -0.243370
O 0.847568 -0.234431 1.841326
O -2.385935 2.071121 -0.851392
N -1.803719 0.738264 0.982543
C -3.130139 0.111027 1.104126
C -3.275106 -1.171193 0.247268
C -0.078945 2.151749 -0.025395
C -1.528582 1.651217 -0.012243
C -4.665815 -1.816684 0.420318
C 3.977050 -0.624109 1.208439
C 0.311996 -2.244105 -1.708633
C 4.505180 0.750461 0.794235
C 1.565431 -2.862468 -2.328804
H -3.882793 0.853179 0.782242
H -3.307096 -0.125168 2.170406
H -2.479835 -1.889272 0.527195
H -3.112911 -0.899337 -0.813330
H -1.027133 0.398350 1.572014
H -0.046143 3.145257 -0.498620
H 0.376069 2.180357 0.977647
H -4.845801 -2.106251 1.473223
H -5.469083 -1.118201 0.119530
H -4.762396 -2.726813 -0.198938
H 3.525761 -0.608090 2.217449
H 4.765713 -1.393303 1.172072
H -0.544079 -2.937876 -1.731924
H 0.023225 -1.296717 -2.203557
H 5.330509 1.044268 1.469697
H 3.721044 1.524982 0.853753
H 4.894418 0.727539 -0.237767
H 1.367252 -3.104127 -3.390043
H 1.843324 -3.792317 -1.804747
H 2.425213 -2.171545 -2.283330


