%chk=000114887.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000114887

0 1
S 0.963378 -0.701980 0.448043
P -0.607674 0.621946 0.095042
O -0.579091 1.940043 0.777811
O -3.026506 -2.406187 0.781990
N -1.967610 -0.394397 0.555860
N -0.582577 0.718271 -1.647571
C 2.486920 0.332248 0.078671
C 3.630766 -0.678251 0.085224
C 2.618992 1.389251 1.149811
C 3.639031 -1.574928 -1.148332
C -3.038909 0.289869 1.329986
C -1.328671 1.879254 -2.199734
C -2.068347 -1.787779 0.360655
H 2.362249 0.787674 -0.932499
H 4.593064 -0.122286 0.140952
H 3.612017 -1.298052 1.006733
H 1.791428 2.122449 1.139257
H 3.541598 1.972403 1.023338
H 2.639793 0.968925 2.164988
H -0.773878 -0.141201 -2.188271
H 3.691999 -0.993649 -2.076417
H 4.502081 -2.251512 -1.136151
H 2.739714 -2.201626 -1.207835
H -2.631652 1.071649 1.998309
H -3.582714 -0.442678 1.960377
H -3.777803 0.750011 0.651863
H -1.123103 2.801520 -1.618658
H -2.421705 1.741071 -2.246535
H -0.968003 2.072574 -3.226930
H -1.247588 -2.258133 -0.206079


%chk=000114887-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000114887

0 1
S 1.001331 -1.242571 0.079669
P -0.379020 0.472683 -0.554115
O 0.307234 1.916956 -0.413488
O -3.807690 -0.715440 1.057968
N -1.910344 0.468817 0.373301
N -0.898925 -0.181310 -2.066426
C 2.425630 -0.159865 0.835808
C 3.748242 -0.473941 0.104878
C 2.485270 -0.416679 2.350357
C 3.766450 -0.061558 -1.379890
C -2.208537 1.589219 1.296872
C -1.953122 0.427812 -2.903812
C -2.758928 -0.644425 0.365311
H 2.108431 0.879081 0.618120
H 4.545499 0.073057 0.650685
H 3.984604 -1.551394 0.209111
H 1.521274 -0.192126 2.837010
H 3.262067 0.229126 2.804156
H 2.745414 -1.467953 2.569894
H -0.196738 -0.751946 -2.545320
H 3.532009 1.012771 -1.495530
H 4.758450 -0.248473 -1.829160
H 3.016051 -0.635472 -1.952506
H -1.443687 2.369545 1.157877
H -2.211410 1.236425 2.342457
H -3.207548 1.996666 1.067290
H -2.748549 0.838769 -2.258990
H -2.405851 -0.354312 -3.537452
H -1.571868 1.241667 -3.549931
H -2.418540 -1.448629 -0.320248


