%chk=000114265.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000114265

0 1
S 1.310677 3.393841 0.457300
S -4.368836 1.174711 0.203109
F 4.932355 -2.332482 0.339684
F 2.945978 -3.035396 0.448303
F 3.773910 -2.480590 -1.418269
O -3.811793 1.614945 -1.057198
O -5.717444 1.505043 0.551602
O -3.356668 1.877814 1.351326
N 0.114125 1.357774 -0.685573
C -0.976992 0.440613 -1.090785
C -1.532269 -0.358449 0.101874
C -2.860046 -1.049339 -0.242611
C 1.371551 0.879405 -0.247613
C -0.141525 2.716011 -0.349205
C 2.173419 1.873740 0.379479
C -4.053105 -0.507943 0.546867
C 1.876059 -0.415123 -0.416392
C 3.173131 -0.684241 0.050552
C 3.448838 1.598889 0.831880
C -1.226454 3.443187 -0.599036
C 3.955043 0.297758 0.665995
C 3.700957 -2.086151 -0.134883
H -0.592294 -0.241515 -1.881305
H -1.793115 1.049537 -1.569065
H -0.789353 -1.111797 0.430896
H -1.647537 0.312404 0.982301
H -3.068025 -0.980464 -1.332639
H -2.767873 -2.137806 -0.038368
H -3.874670 -0.659238 1.638406
H -4.949726 -1.137071 0.350444
H 1.282763 -1.185861 -0.905154
H 4.058780 2.366797 1.309584
H -1.313191 4.490989 -0.359698
H -2.097962 3.062319 -1.129908
H -2.867759 2.677111 1.073323
H 4.961253 0.077677 1.023974


%chk=000114265-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000114265

0 1
S 1.267992 3.445694 0.514070
S -4.428162 1.316764 0.204194
F 4.762115 -2.412601 0.757497
F 2.810665 -3.072560 -0.205658
F 4.448686 -2.153098 -1.468927
O -4.028617 1.586782 -1.357522
O -5.889271 1.737846 0.736173
O -3.148821 2.055632 1.289269
N 0.079483 1.318553 -0.571989
C -0.974174 0.382817 -1.029665
C -1.530653 -0.488115 0.135387
C -2.924191 -1.105928 -0.190815
C 1.365479 0.869556 -0.210244
C -0.195318 2.671106 -0.298154
C 2.168123 1.874469 0.399903
C -4.089252 -0.550402 0.631210
C 1.889010 -0.424033 -0.398640
C 3.209533 -0.687772 0.037085
C 3.474477 1.609472 0.835431
C -1.351378 3.376677 -0.544108
C 4.002620 0.311232 0.648496
C 3.793285 -2.048115 -0.205933
H -0.556742 -0.252144 -1.833427
H -1.793319 0.966774 -1.477387
H -0.811607 -1.291152 0.376473
H -1.611230 0.149322 1.034198
H -3.160449 -1.005517 -1.267651
H -2.910972 -2.194056 0.017983
H -3.909978 -0.512782 1.717104
H -5.058069 -1.023833 0.400597
H 1.297421 -1.216144 -0.863919
H 4.078706 2.386749 1.311246
H -1.374890 4.446745 -0.322952
H -2.121526 2.998311 -1.226488
H -2.522737 2.663338 0.720648
H 5.015961 0.077513 0.985710


