%chk=000229201.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000229201

0 1
S 1.149684 2.722696 0.967022
O 0.399476 3.705011 0.238140
O 2.027519 3.126773 2.044010
O -3.066321 -1.961555 2.167151
O 3.656525 -1.095022 -3.870580
O 5.372722 -1.012402 -2.554457
N 0.083761 1.611142 1.768519
N -0.801315 1.004507 0.924120
N 4.226015 -0.730910 -2.856536
C 2.032044 1.716549 -0.146063
C 1.418331 1.264516 -1.315955
C 3.356615 1.378102 0.146879
C 3.457999 0.127656 -1.908459
C 2.133121 0.460405 -2.211673
C 4.083587 0.577287 -0.738183
C -2.676586 -0.412459 0.458948
C -3.369329 -1.581546 0.877499
C -1.758389 0.251383 1.395428
C -2.917011 0.064748 -0.834927
C -4.259941 -2.249735 0.031312
C -3.807258 -0.596356 -1.689321
C -4.470930 -1.745684 -1.256794
C -3.736064 -3.127192 2.707257
H 0.376497 1.529755 -1.538405
H 3.831356 1.741247 1.069003
H 1.668747 0.093821 -3.134053
H 5.122869 0.301213 -0.527794
H -0.030945 1.588754 2.792039
H -1.952566 0.038781 2.460076
H -2.405328 0.968430 -1.174851
H -4.783824 -3.143432 0.353477
H -3.981924 -0.209016 -2.690743
H -5.163191 -2.258902 -1.925047
H -3.473249 -4.017544 2.128584
H -4.817025 -2.963683 2.740882
H -3.313272 -3.177639 3.719394


%chk=000229201-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000229201

0 1
S 1.183833 2.416904 1.093109
O 0.097923 3.401982 0.387723
O 2.124303 2.889476 2.333705
O -3.727215 -1.769082 2.521455
O 4.281039 0.177353 -4.546671
O 5.916340 -0.255901 -3.016483
N 0.395716 0.750354 1.755121
N -0.594228 0.301161 0.916862
N 4.747749 0.179144 -3.344599
C 2.274470 1.707595 -0.270830
C 1.772608 1.716525 -1.581973
C 3.546948 1.232670 0.086290
C 3.877205 0.718962 -2.261670
C 2.598095 1.207611 -2.605839
C 4.371705 0.725794 -0.938609
C -2.636961 -0.952383 0.545506
C -3.736074 -1.668399 1.122889
C -1.614281 -0.378524 1.418014
C -2.586077 -0.817221 -0.868894
C -4.746848 -2.219887 0.300439
C -3.590121 -1.362768 -1.689608
C -4.669917 -2.064207 -1.101078
C -4.828767 -2.488310 3.168961
H 0.779128 2.124274 -1.790398
H 3.883821 1.275237 1.126465
H 2.273120 1.182043 -3.648798
H 5.374102 0.341966 -0.733892
H 0.152192 0.948610 2.756870
H -1.718556 -0.564363 2.500832
H -1.737492 -0.274932 -1.297296
H -5.588328 -2.765195 0.736907
H -3.535922 -1.248266 -2.776780
H -5.455133 -2.494384 -1.732378
H -4.863812 -3.544823 2.841337
H -5.800209 -1.999343 2.964181
H -4.607955 -2.439974 4.245029


