%chk=000214732.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000214732

0 1
S -0.226799 -1.499416 -1.346533
P 0.903554 -1.487533 0.417665
O 2.137919 -0.475402 0.015217
O 1.631149 -2.948420 0.483027
O 0.116403 -1.179362 1.632028
O -2.633179 0.436153 -1.958217
N -2.565783 0.744421 0.287933
C -1.927434 -1.462124 -0.689809
C -2.389030 -0.029359 -0.852447
C 2.062099 0.883766 0.537194
C 2.446827 -3.421658 -0.624099
C -3.000930 2.152952 0.140090
C -2.268190 0.309484 1.666973
C 1.130611 1.737290 -0.299949
C 3.772280 -2.692498 -0.699111
H -2.542526 -2.126019 -1.337076
H -2.019939 -1.853828 0.346170
H 3.121939 1.196770 0.430142
H 1.787834 0.870412 1.609735
H 2.573838 -4.484228 -0.321421
H 1.875868 -3.381115 -1.570340
H -3.122198 2.406555 -0.933340
H -2.261066 2.842705 0.575056
H -3.972864 2.310716 0.635409
H -2.190610 -0.793255 1.745536
H -3.054561 0.645106 2.360703
H -1.292503 0.703627 2.011407
H 1.374925 2.802348 -0.205139
H 1.206034 1.485090 -1.369843
H 0.072952 1.624665 -0.024999
H 4.470093 -3.204263 -1.372315
H 3.669597 -1.656252 -1.061665
H 4.249888 -2.628628 0.289118


%chk=000214732-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000214732

0 1
S -0.167498 -0.756906 -1.219472
P 1.149590 -1.280704 0.605081
O 2.591719 -0.366880 0.317222
O 1.683292 -2.903460 0.417743
O 0.421314 -1.046886 2.001927
O -3.786326 -0.710548 -1.708645
N -3.083656 0.648116 0.053903
C -1.815484 -1.445861 -0.510283
C -2.966449 -0.466210 -0.764184
C 2.800191 0.908783 1.077616
C 2.168309 -3.437073 -0.892712
C -4.173730 1.603893 -0.215076
C -2.179844 1.014844 1.155668
C 2.077654 2.088174 0.423593
C 3.648616 -3.130005 -1.123625
H -2.040211 -2.364152 -1.068238
H -1.653814 -1.673158 0.556786
H 3.895054 1.031573 1.043287
H 2.480073 0.757849 2.125031
H 1.984384 -4.519550 -0.792474
H 1.527922 -3.035711 -1.703128
H -4.757017 1.234965 -1.071669
H -3.760309 2.603200 -0.452083
H -4.833394 1.694694 0.668758
H -1.459861 0.221181 1.401487
H -2.774051 1.228674 2.064782
H -1.607259 1.929054 0.898353
H 2.355783 3.024207 0.943662
H 2.363651 2.184274 -0.637618
H 0.980882 1.974982 0.481913
H 3.981226 -3.618588 -2.059119
H 3.824369 -2.044562 -1.208565
H 4.261071 -3.519510 -0.292820


