%chk=000180687.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000180687

0 1
S -3.186767 -0.663788 2.468541
P -1.935981 0.456492 1.584786
O -0.308385 -0.074930 1.684169
O -1.666691 1.827621 2.424512
O 2.705275 0.274509 -0.904108
O 0.723971 1.311638 -0.647646
N -2.101576 0.823218 -0.075545
C -3.044924 0.134866 -1.024453
C -2.772451 0.757974 -2.412113
C -2.774680 -1.379428 -1.085831
C -4.496896 0.414847 -0.611687
C 0.072595 -1.197211 1.005633
C -0.738808 2.820306 1.884708
C 0.970877 -1.040282 -0.071899
C -0.324000 -2.474474 1.442238
C 1.488287 -2.194794 -0.689890
C -1.528003 3.866251 1.120996
C 3.313312 1.524409 -1.427255
C 1.388325 0.294630 -0.539978
C 0.185364 -3.595918 0.796034
C 1.089772 -3.460043 -0.270393
C 2.941065 1.640057 -2.894739
C 4.792301 1.295255 -1.172638
H -1.261598 1.241019 -0.553715
H -2.939102 1.841490 -2.404360
H -3.440078 0.333794 -3.169112
H -1.745976 0.580414 -2.749848
H -3.331400 -1.842215 -1.907744
H -1.715128 -1.605567 -1.243933
H -3.093899 -1.901269 -0.173427
H -4.804745 -0.155391 0.276177
H -5.192970 0.143077 -1.411389
H -4.655811 1.474981 -0.381520
H 0.063888 2.352213 1.281770
H -0.305904 3.226002 2.822836
H -1.009224 -2.576716 2.288748
H 2.209857 -2.079572 -1.503194
H 2.901762 2.365886 -0.826416
H -2.461768 4.111194 1.648678
H -1.811160 3.530801 0.114941
H -0.955067 4.793990 1.010259
H -0.115684 -4.592462 1.125706
H 1.485515 -4.347867 -0.759964
H 3.468333 2.470544 -3.378375
H 1.862994 1.817506 -3.015237
H 3.185953 0.725750 -3.449431
H 5.390640 2.155334 -1.493332
H 4.988992 1.122314 -0.105390
H 5.163199 0.409345 -1.705472


%chk=000180687-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000180687

0 1
S -3.155686 -1.811800 1.266047
P -2.106407 -0.058927 0.987933
O -0.336491 -0.045860 1.336749
O -2.600761 1.094455 2.179563
O 3.033708 -0.107711 -1.195504
O 0.814732 0.562648 -1.214147
N -1.952670 0.712352 -0.531993
C -3.041053 0.902103 -1.541070
C -2.541392 2.022604 -2.488437
C -3.282101 -0.407225 -2.342782
C -4.343787 1.347940 -0.833758
C 0.493335 -1.170200 1.271219
C -1.920772 2.424678 2.228519
C 1.567974 -1.205627 0.329534
C 0.335892 -2.210889 2.217167
C 2.492486 -2.285478 0.396072
C -2.848137 3.348506 3.014019
C 3.321510 0.837035 -2.339695
C 1.722944 -0.171960 -0.732451
C 1.244585 -3.287853 2.239593
C 2.332201 -3.322544 1.333941
C 2.981148 0.129393 -3.659045
C 4.798567 1.205717 -2.190146
H -0.966946 0.751932 -0.864571
H -2.379275 2.961579 -1.929939
H -3.288132 2.206632 -3.281634
H -1.588733 1.736046 -2.971613
H -4.064549 -0.255184 -3.109575
H -2.353152 -0.725255 -2.850616
H -3.602752 -1.220501 -1.667923
H -4.713899 0.569810 -0.141388
H -5.131608 1.535136 -1.585101
H -4.178981 2.276275 -0.258009
H -1.748977 2.782680 1.194607
H -0.945099 2.289162 2.729336
H -0.498764 -2.158005 2.921749
H 3.327894 -2.296019 -0.308948
H 2.667567 1.717334 -2.200262
H -3.039433 2.940083 4.020866
H -3.816306 3.464048 2.497398
H -2.382890 4.346235 3.123193
H 1.109266 -4.092998 2.969814
H 3.045713 -4.152340 1.359100
H 3.205034 0.797495 -4.510749
H 1.910835 -0.133376 -3.701572
H 3.582040 -0.790130 -3.772988
H 5.086267 1.924936 -2.978181
H 4.990935 1.668457 -1.207446
H 5.437725 0.310414 -2.286177


