%chk=000214724.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000214724

0 1
S 1.365811 -1.678911 -0.942763
P 2.032906 -0.731113 0.794286
O -0.450969 1.743975 -0.419246
O 3.159728 0.216957 0.043481
O 2.508676 -1.496023 1.962857
N -1.681899 -0.037268 0.463259
N 0.632166 0.254307 1.047519
C -0.332452 0.346574 -0.047713
C -2.666780 1.035589 0.123053
C 0.195989 -0.334088 -1.327557
C -1.745628 2.268646 -0.033585
C -2.102048 -1.455587 0.295088
C -3.502079 0.795291 -1.135328
C -3.227364 -1.787497 1.274775
C 3.980497 1.014306 0.928230
H -3.343773 1.145993 1.007498
H -0.627015 -0.746655 -1.938288
H 0.696579 0.432203 -1.966705
H -2.019531 2.952688 -0.850366
H -1.607932 2.824924 0.907383
H 0.260383 0.454372 1.989954
H -2.417599 -1.687899 -0.745636
H -1.219445 -2.100879 0.518682
H -4.180910 1.635053 -1.324378
H -2.875297 0.676951 -2.027036
H -4.122966 -0.103930 -1.046431
H -2.957551 -1.497475 2.299892
H -4.161144 -1.271927 1.027920
H -3.430840 -2.864604 1.281202
H 3.404372 1.868022 1.305771
H 4.779193 1.367396 0.259264
H 4.411524 0.416307 1.742017


%chk=000214724-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000214724

0 1
S 1.213097 -1.865753 -1.117261
P 2.038541 -0.848855 0.755397
O -0.483144 1.776854 -0.364113
O 3.185900 0.201923 -0.034898
O 2.595194 -1.599705 2.045837
N -1.732933 -0.027380 0.429160
N 0.570667 0.041259 1.035667
C -0.376292 0.326376 -0.028921
C -2.710450 1.015200 0.025900
C 0.163418 -0.296373 -1.367840
C -1.800299 2.258093 0.118652
C -2.109398 -1.453474 0.461019
C -3.352939 0.837187 -1.373171
C -3.274199 -1.730487 1.429033
C 4.003302 1.090704 0.825964
H -3.509621 1.069018 0.789000
H -0.677367 -0.579093 -2.017614
H 0.799717 0.450947 -1.862873
H -2.100607 3.083801 -0.546082
H -1.714829 2.616414 1.162718
H 0.262442 0.243163 1.988211
H -2.371373 -1.840797 -0.552059
H -1.216593 -2.017693 0.787400
H -4.132721 1.604784 -1.532942
H -2.601505 0.942931 -2.176358
H -3.835314 -0.152220 -1.472151
H -3.022533 -1.385114 2.447333
H -4.204296 -1.223852 1.111628
H -3.482110 -2.814849 1.468730
H 3.373084 1.872519 1.289791
H 4.728299 1.551487 0.138731
H 4.529466 0.508682 1.603212


