%chk=000257473.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000257473

0 1
S 0.597984 -0.190499 0.754347
O 4.202543 -0.552409 -1.905943
O 2.905850 1.303467 0.952846
O 0.569440 1.007312 1.583571
O 1.310748 -1.381524 1.175339
O -5.558858 0.278371 -0.807701
O -4.104187 1.957860 -1.062265
N 1.066872 0.255636 -0.848234
C 1.811780 -0.774109 -1.613442
C 1.542528 1.651153 -1.014989
C 3.210417 -1.150363 -1.052603
C 2.898051 1.950788 -0.320040
C -1.058051 -0.674897 0.487907
C 3.405211 -2.654739 -0.949348
C 3.134584 3.448479 -0.183896
C -1.992835 0.237205 0.001871
C -1.442239 -1.986655 0.787442
C -3.324020 -0.171795 -0.193916
C -2.767300 -2.393349 0.598145
C -3.711023 -1.488671 0.107937
C -4.289077 0.812334 -0.719211
H 1.934205 -0.411429 -2.661189
H 1.159200 -1.674341 -1.678101
H 0.749295 2.327414 -0.618575
H 1.627800 1.875302 -2.101364
H 3.419456 -0.653428 -0.067238
H 3.743822 1.445347 -0.853449
H 2.782873 -3.055349 -0.130700
H 3.152252 -3.193552 -1.865139
H 4.446346 -2.894730 -0.694914
H 3.228630 3.938106 -1.158841
H 2.330232 3.950631 0.366802
H 4.065373 3.638157 0.369204
H -1.711048 1.272584 -0.231098
H -0.700625 -2.699308 1.175137
H 4.358615 -1.083943 -2.705713
H 2.329289 1.781245 1.617242
H -3.063176 -3.415014 0.836511
H -4.752226 -1.793006 -0.044130
H -6.218131 0.937717 -1.158360


%chk=000257473-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000257473

0 1
S 0.494853 -0.227059 0.824897
O 4.322173 -0.403640 -1.931886
O 3.103392 1.410002 0.968889
O 0.407311 1.203390 1.637364
O 1.180949 -1.570543 1.455366
O -5.822634 0.499836 -0.660460
O -4.268641 2.222716 -0.527332
N 1.163564 0.119346 -0.914193
C 1.962437 -1.031198 -1.410349
C 1.633479 1.520054 -1.062051
C 3.456556 -1.158429 -0.988354
C 2.972805 1.961002 -0.386455
C -1.297246 -0.702839 0.448078
C 3.888494 -2.629650 -0.899208
C 3.068213 3.496852 -0.382626
C -2.215272 0.308776 0.146223
C -1.632178 -2.064839 0.523191
C -3.554339 -0.076690 -0.116491
C -2.973685 -2.430701 0.260946
C -3.929754 -1.444642 -0.061531
C -4.531257 1.000480 -0.443627
H 1.905259 -0.967376 -2.516887
H 1.420738 -1.946957 -1.109334
H 0.816382 2.170485 -0.695205
H 1.718054 1.676253 -2.156170
H 3.610106 -0.658039 -0.018583
H 3.821145 1.527744 -0.938545
H 3.334619 -3.141849 -0.092627
H 3.700323 -3.173557 -1.847980
H 4.966499 -2.693727 -0.670965
H 3.035774 3.907366 -1.410089
H 2.237883 3.945216 0.196275
H 4.019466 3.806284 0.082454
H -1.936815 1.367248 0.128925
H -0.870235 -2.800253 0.802220
H 4.458067 -0.955644 -2.744652
H 2.293768 1.654237 1.505446
H -3.268311 -3.483284 0.315285
H -4.968960 -1.717037 -0.264142
H -6.432381 1.256663 -0.871913


