%chk=000216825.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000216825

0 1
S -0.667929 1.665096 -1.983848
S -2.991352 1.926718 0.476588
P -1.452034 1.006199 -0.168039
O -1.559773 -0.601332 -0.539752
O -0.198740 0.880314 0.903074
O 2.466608 0.819261 -1.537598
N 1.452908 -1.138314 -0.898346
C 2.476939 -1.437092 0.137341
C 1.875010 -1.497174 1.548487
C 0.360271 0.286401 -2.565573
C 1.513715 0.060906 -1.608289
C 1.225761 -2.840990 1.860552
C -2.365033 -1.436079 0.359756
C 0.234561 2.074629 1.622803
C -1.939875 -2.845211 -0.004054
C 1.180708 2.893883 0.772907
H 3.278320 -0.659010 0.094246
H 2.956832 -2.404268 -0.133833
H 1.131311 -0.677167 1.673959
H 2.672635 -1.286935 2.288448
H 0.552084 -1.607643 -0.772618
H 0.763037 0.604969 -3.555198
H -0.251899 -0.618226 -2.757840
H 0.371866 -3.045187 1.192570
H 1.933897 -3.670599 1.753355
H 0.846307 -2.865935 2.888883
H -2.147295 -1.194919 1.416348
H -3.431109 -1.244696 0.125290
H -0.633432 2.651596 1.993920
H 0.751632 1.602403 2.484811
H -2.642014 -3.589222 0.391659
H -0.935243 -3.083312 0.393181
H -1.899245 -2.975156 -1.095195
H 1.855929 3.495190 1.393854
H 0.669142 3.586472 0.093191
H 1.824399 2.250829 0.141061


%chk=000216825-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000216825

0 1
S 0.084100 1.691786 -1.722006
S -3.147491 2.038914 0.102071
P -1.381441 0.988153 -0.107808
O -1.462336 -0.707373 -0.526509
O -0.473034 0.774884 1.366996
O 2.873768 -0.632350 -2.580901
N 1.418493 -1.462361 -0.950714
C 2.452044 -2.272693 -0.281093
C 3.163738 -1.543968 0.885269
C 0.537918 0.081584 -2.648828
C 1.719272 -0.689681 -2.051181
C 2.253032 -1.289993 2.105247
C -2.597678 -1.514398 0.026532
C -0.483835 1.856383 2.395618
C -2.567691 -2.855974 -0.698645
C 0.445539 3.013626 2.023275
H 3.195550 -2.541886 -1.051804
H 1.979292 -3.202945 0.089843
H 3.571302 -0.589605 0.502046
H 4.032909 -2.161903 1.188102
H 0.465357 -1.414768 -0.568719
H 0.826955 0.449529 -3.646236
H -0.378280 -0.525127 -2.712219
H 1.387313 -0.657755 1.836752
H 1.869530 -2.243865 2.517707
H 2.810142 -0.779227 2.912683
H -2.445229 -1.623500 1.116224
H -3.538890 -0.963357 -0.157566
H -1.527559 2.196036 2.542301
H -0.138793 1.329552 3.300910
H -3.388302 -3.494721 -0.323030
H -1.614346 -3.384636 -0.525936
H -2.703747 -2.719009 -1.784728
H 0.503147 3.727047 2.866396
H 0.075219 3.563306 1.139640
H 1.462929 2.646694 1.806414


