%chk=000187732.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000187732

0 1
S 1.135701 -1.150396 0.247741
O 3.356237 1.706418 2.048281
O 0.197157 -1.827523 -0.641680
O 1.114556 -1.506597 1.653784
O -4.327783 -1.097969 -0.180578
O -5.493206 1.461483 0.387531
N 0.872311 0.548478 0.172374
C 2.129807 2.228054 1.436199
C 0.934847 1.288226 1.455786
C 2.655557 2.799407 2.723477
C 0.056481 1.207950 -0.890719
C -1.431180 1.208384 -0.560743
C 0.328119 0.584810 -2.261204
C 2.729031 -1.331387 -0.390860
C -2.166892 0.013647 -0.545987
C -2.066596 2.418724 -0.267701
C 3.827680 -0.817705 0.304042
C 2.915709 -2.008785 -1.601794
C -3.522780 0.027286 -0.227623
C -3.430034 2.448925 0.042296
C -4.169973 1.260011 0.068571
C 5.117434 -0.978937 -0.215393
C 4.202165 -2.170730 -2.119915
C 5.303282 -1.654403 -1.424587
C -3.672946 -2.383690 -0.337057
C -6.354046 0.298705 0.483543
H 2.316977 2.745635 0.489508
H 0.003081 1.874276 1.639903
H 1.018640 0.577374 2.321568
H 2.218750 2.523268 3.680752
H 3.201486 3.739746 2.734031
H 0.414692 2.278397 -0.929428
H -0.041598 -0.452002 -2.336615
H 1.396107 0.580828 -2.504631
H -0.190132 1.152493 -3.044650
H -1.660480 -0.930636 -0.788600
H -1.510937 3.354185 -0.282758
H 3.690900 -0.284021 1.255962
H 2.052600 -2.416615 -2.140570
H -3.934272 3.387439 0.267697
H 5.972192 -0.575984 0.326701
H 4.349519 -2.699425 -3.059875
H 6.308227 -1.781508 -1.828708
H -3.251414 -2.472983 -1.342941
H -2.902677 -2.519387 0.429896
H -4.507949 -3.077885 -0.190709
H -5.991286 -0.373440 1.268081
H -7.315788 0.751504 0.747294
H -6.397875 -0.216143 -0.482490


%chk=000187732-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000187732

0 1
S 1.180900 -1.225413 0.235205
O 3.156776 1.876163 2.085243
O 0.157316 -2.118235 -0.691001
O 1.269827 -1.566372 1.831331
O -4.301901 -1.118468 -0.273940
O -5.608107 1.427200 -0.022156
N 0.979019 0.714529 0.124879
C 1.754820 2.351224 1.772596
C 0.730878 1.266612 1.482420
C 2.312165 2.529513 3.153479
C 0.099571 1.255881 -0.977406
C -1.409523 1.256672 -0.703596
C 0.481084 0.652569 -2.346564
C 2.899102 -1.406483 -0.522262
C -2.138026 0.045290 -0.594431
C -2.100543 2.483631 -0.570236
C 3.955691 -0.680167 0.053201
C 3.038991 -2.298627 -1.596070
C -3.529042 0.051282 -0.353302
C -3.491015 2.496734 -0.321123
C -4.221789 1.296386 -0.199458
C 5.241849 -0.869940 -0.503684
C 4.336010 -2.471134 -2.134293
C 5.430368 -1.759894 -1.588897
C -3.603573 -2.400317 -0.454457
C -6.275574 0.585591 0.992871
H 1.750476 3.218734 1.098618
H -0.297088 1.672772 1.579886
H 0.847167 0.449938 2.223384
H 1.983081 1.851170 3.950759
H 2.661701 3.517506 3.476043
H 0.420828 2.321420 -1.000543
H 0.157596 -0.397340 -2.436056
H 1.573884 0.706137 -2.497689
H -0.014045 1.230055 -3.145994
H -1.605522 -0.905102 -0.709510
H -1.558888 3.433401 -0.661070
H 3.787326 0.014857 0.883426
H 2.167528 -2.833113 -1.987314
H -4.042886 3.435618 -0.212547
H 6.091780 -0.319051 -0.087854
H 4.486607 -3.159425 -2.972448
H 6.432130 -1.898607 -2.010065
H -3.151484 -2.467256 -1.461696
H -2.814870 -2.542787 0.307353
H -4.384518 -3.166469 -0.340779
H -5.816939 0.744639 1.988188
H -7.318909 0.936554 1.002124
H -6.220829 -0.480373 0.722636


