%chk=000280805.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000280805

0 1
S 1.661919 -0.435484 2.372343
P -2.201376 -0.147287 -0.241752
O -2.424842 1.377603 -0.761771
O -3.354039 -0.262521 0.938790
O -0.949852 -0.142380 0.909113
O -2.172815 -1.166575 -1.292935
N 0.158991 0.062036 0.089552
C 2.551707 0.134719 -0.076153
C -2.690704 2.416701 0.224614
C -4.078814 -1.516609 1.045727
C 1.299639 -0.057164 0.688431
C 3.479003 1.107136 0.329578
C 2.808525 -0.667206 -1.199990
C -1.399720 2.910226 0.848003
C -5.009932 -1.734355 -0.131340
C 4.668061 1.265173 -0.387406
C 4.000765 -0.500038 -1.908630
C 4.930802 0.462789 -1.502719
C 0.100806 -0.800070 3.192240
H -3.160332 3.187690 -0.422336
H -3.426808 2.063878 0.972281
H -3.364411 -2.349964 1.181983
H -4.635569 -1.349476 1.991521
H 3.275920 1.738786 1.194484
H 2.075029 -1.409843 -1.519449
H -1.024372 2.238267 1.632114
H -1.525719 3.902742 1.295032
H -0.603238 2.987108 0.091042
H -4.466798 -2.026432 -1.047576
H -5.578908 -0.826908 -0.373189
H -5.733500 -2.531217 0.076518
H 5.391390 2.017163 -0.075489
H 4.202733 -1.120339 -2.781099
H 5.859467 0.589492 -2.057296
H 0.326342 -1.053404 4.236347
H -0.587506 0.056236 3.175732
H -0.417844 -1.648976 2.727386


%chk=000280805-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000280805

0 1
S 1.669284 -1.040907 2.497735
P -2.255798 -0.676023 -0.164129
O -2.500284 0.933013 -0.687132
O -3.348692 -0.945529 1.146392
O -0.844724 -0.631911 0.905575
O -2.292898 -1.727762 -1.343666
N 0.326361 -0.081318 0.174579
C 2.702561 0.100437 0.130101
C -2.357499 2.097139 0.247965
C -4.414171 -1.982674 0.963098
C 1.447936 -0.276840 0.842012
C 3.872941 0.479269 0.841412
C 2.730985 0.081398 -1.294400
C -1.450307 3.119232 -0.431366
C -5.568907 -1.464184 0.103811
C 5.047277 0.832522 0.142246
C 3.904315 0.442163 -1.985541
C 5.067810 0.817704 -1.271104
C 0.190038 -0.451510 3.522121
H -3.379649 2.482429 0.407804
H -1.941800 1.757753 1.214820
H -3.961125 -2.890997 0.524749
H -4.728420 -2.189389 1.999086
H 3.854141 0.500677 1.935767
H 1.832784 -0.225702 -1.838581
H -0.441239 2.699601 -0.577159
H -1.375096 4.030494 0.192027
H -1.859369 3.404525 -1.415377
H -5.241544 -1.286177 -0.935586
H -5.976791 -0.525773 0.517450
H -6.381097 -2.215032 0.080630
H 5.943977 1.121908 0.701026
H 3.916429 0.419976 -3.080679
H 5.981351 1.089907 -1.811346
H 0.485912 -0.649839 4.564619
H 0.042657 0.627737 3.372122
H -0.713348 -1.004819 3.242621


