%chk=000180138.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000180138

0 1
S 3.836468 -0.144497 -2.218453
P 4.108573 -0.124235 -0.338667
O 3.049804 -1.037891 0.561725
O 4.007784 1.305152 0.448003
O 5.519585 -0.705119 0.238858
O -7.441559 -0.416940 0.334451
O -7.109330 1.475220 -0.658508
N -6.715259 0.448689 -0.127921
C -1.041682 -0.362095 0.224954
C -2.502504 -0.154245 0.132914
C 1.693992 -0.747463 0.392957
C -0.234574 0.602003 0.853571
C -0.462767 -1.522061 -0.318095
C 1.144229 0.416168 0.947341
C 0.915240 -1.723370 -0.242683
C -3.010800 1.006244 -0.478131
C -3.384844 -1.116461 0.656428
C -4.386361 1.206800 -0.567462
C -4.761967 -0.923491 0.574398
C -5.256019 0.239464 -0.038319
C 4.724171 2.438148 -0.154224
C 5.970546 -1.999241 -0.292397
C 4.336368 3.592544 0.748268
C 7.325883 -2.171587 0.363702
H -0.688865 1.497831 1.279234
H -1.091176 -2.264620 -0.812150
H 1.783089 1.153001 1.440503
H 1.385312 -2.610561 -0.664810
H -2.324529 1.746310 -0.892742
H -2.988449 -2.012634 1.135998
H -4.796560 2.104333 -1.043842
H -5.461150 -1.663040 0.980557
H 5.809812 2.226080 -0.118080
H 4.381506 2.588622 -1.196989
H 6.042900 -1.948250 -1.396515
H 5.250484 -2.777811 0.024365
H 4.879029 4.507766 0.483580
H 3.260367 3.804899 0.689971
H 4.554694 3.360221 1.801373
H 7.762803 -3.149699 0.131555
H 8.031512 -1.395048 0.038284
H 7.247942 -2.083340 1.457797


%chk=000180138-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000180138

0 1
S 3.966306 0.297025 -2.412175
P 4.191422 0.063246 -0.378948
O 2.978055 -0.855203 0.484390
O 4.227813 1.473906 0.606357
O 5.591454 -0.754345 0.190310
O -7.721066 -0.650869 0.484315
O -7.463130 1.234357 -0.776323
N -6.987837 0.229989 -0.114738
C -1.231630 -0.355072 0.185393
C -2.708352 -0.205915 0.107247
C 1.587336 -0.638328 0.337930
C -0.376548 0.782213 0.154928
C -0.629145 -1.640366 0.296724
C 1.022407 0.653262 0.237632
C 0.768074 -1.787879 0.363386
C -3.299813 0.872343 -0.614196
C -3.575260 -1.135996 0.752570
C -4.694519 1.023390 -0.691493
C -4.972372 -1.003169 0.684834
C -5.519102 0.080008 -0.038791
C 5.224230 2.543681 0.270447
C 6.032597 -2.005487 -0.504674
C 4.869289 3.741984 1.143848
C 7.428869 -2.313845 0.024828
H -0.810270 1.786860 0.109253
H -1.254846 -2.539154 0.288313
H 1.668435 1.536732 0.252333
H 1.234970 -2.774684 0.429513
H -2.659020 1.580823 -1.148894
H -3.148568 -1.953531 1.342487
H -5.154985 1.842363 -1.250093
H -5.642582 -1.707080 1.185000
H 6.233462 2.152841 0.494116
H 5.148218 2.776479 -0.809372
H 6.028804 -1.829632 -1.597694
H 5.310662 -2.805826 -0.258883
H 5.588878 4.560982 0.959661
H 3.855057 4.110262 0.914565
H 4.913036 3.472317 2.212295
H 7.801946 -3.247702 -0.434757
H 8.130344 -1.498689 -0.220373
H 7.411083 -2.446496 1.119526


