%chk=000229180.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000229180

0 1
S 0.359254 -2.365339 -0.129502
O 0.804080 -2.562451 -1.482261
O 0.050678 -3.513271 0.697468
O -4.249709 2.382659 -0.802612
O -5.211275 1.167167 0.707847
N 1.952835 -0.364225 0.220776
N 1.570779 -1.546945 0.808352
N -4.295961 1.419988 -0.056196
C 3.290212 1.645689 -0.100825
C 3.006635 0.300668 0.599934
C 4.662905 1.544398 -0.789767
C 2.222651 1.977100 -1.158323
C 3.297490 2.752675 0.968717
C 3.969038 -0.143190 1.661880
C -0.989153 -1.263049 -0.112157
C -0.990511 -0.155675 -0.962818
C -2.058394 -1.505749 0.754341
C -2.074580 0.729338 -0.951101
C -3.148876 -0.631252 0.776743
C -3.139552 0.478514 -0.078113
H 5.475435 1.373129 -0.077140
H 4.682821 0.723830 -1.516862
H 4.898701 2.466141 -1.333425
H 2.437913 2.928983 -1.654027
H 1.225173 2.052626 -0.711251
H 2.174990 1.203117 -1.934441
H 3.456197 3.736942 0.513845
H 2.343873 2.791928 1.507384
H 4.089297 2.608962 1.710491
H 4.783134 0.577338 1.823024
H 3.464786 -0.267508 2.631460
H 4.445375 -1.098767 1.400646
H 2.224680 -2.074924 1.405168
H -0.144679 0.027997 -1.638770
H -2.048756 -2.383216 1.415598
H -2.095940 1.604056 -1.610213
H -3.997947 -0.803583 1.447331


%chk=000229180-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000229180

0 1
S 0.345594 -2.350954 -0.281242
O 0.843552 -2.358449 -1.829245
O 0.055302 -3.719668 0.547194
O -4.710198 2.181553 -0.851282
O -5.424420 1.042455 0.991706
N 1.985153 -0.220832 0.230303
N 1.546667 -1.360663 0.887743
N -4.581831 1.257291 0.039132
C 3.482828 1.689933 -0.085130
C 3.082166 0.391439 0.631566
C 4.901228 1.503447 -0.706768
C 2.481543 2.042467 -1.212877
C 3.516003 2.856467 0.948998
C 3.917626 -0.143660 1.782607
C -1.164121 -1.226592 -0.172426
C -1.308882 -0.226504 -1.147230
C -2.083038 -1.461996 0.862923
C -2.448839 0.600485 -1.076030
C -3.223797 -0.636243 0.931067
C -3.379009 0.381011 -0.036464
H 5.664786 1.258448 0.053781
H 4.895637 0.699077 -1.464307
H 5.212705 2.440671 -1.203326
H 2.802176 2.974536 -1.713814
H 1.465005 2.191123 -0.809473
H 2.429232 1.236551 -1.964883
H 3.820843 3.790945 0.442996
H 2.517047 3.016890 1.393425
H 4.233481 2.671297 1.769168
H 4.784104 0.497263 1.998887
H 3.305746 -0.225022 2.702016
H 4.305191 -1.160311 1.559839
H 2.259905 -2.067484 1.184463
H -0.561315 -0.112286 -1.937436
H -1.916283 -2.274431 1.576898
H -2.626150 1.400429 -1.798959
H -3.982040 -0.764584 1.707379


