%chk=000182207.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000182207

0 1
S 3.814286 -0.614141 -0.362550
S 2.667139 0.997583 -0.961159
O -4.127468 1.793102 0.095319
O 0.110475 2.286031 -0.760305
O -3.050383 0.043306 -1.621848
O -0.135041 -2.240866 1.199535
O 1.294748 0.153884 -1.317520
O 2.323226 1.805039 0.183463
O 3.274065 1.522589 -2.128783
N -2.481479 -1.401015 0.067097
N 1.631271 -2.786021 -0.136154
C -1.778666 1.835328 0.804551
C -3.068522 0.976741 0.585824
C -1.305724 2.431227 -0.551012
C -2.144447 2.979094 1.761436
C -0.692077 0.960780 1.436493
C -2.846241 -0.161009 -0.430062
C -2.077552 -2.484001 -0.859209
C -0.572730 -2.443585 -1.176357
C 0.284702 -2.463099 0.069014
C 2.593258 -2.638663 0.977765
C 3.038333 -1.191476 1.180835
H -3.464229 0.609513 1.561414
H -1.738551 1.913761 -1.432324
H -1.541033 3.508158 -0.632884
H -3.032488 3.521964 1.402612
H -2.386529 2.611198 2.764947
H -1.326693 3.698619 1.869492
H -0.374983 0.133212 0.788879
H 0.215200 1.545969 1.655447
H -1.016695 0.522753 2.387531
H -2.116967 -1.502919 1.025390
H -4.097902 1.844272 -0.898564
H -2.347754 -3.455745 -0.386423
H -2.658249 -2.394007 -1.810208
H -0.330707 -1.518437 -1.756517
H -0.322729 -3.282772 -1.857657
H 0.624430 2.611068 0.044419
H 2.031423 -2.746863 -1.073855
H 3.462530 -3.307633 0.781383
H 2.108644 -3.004205 1.921438
H 3.788382 -1.110411 1.994085
H 2.186488 -0.545866 1.483825
H 0.429737 0.716045 -1.268902


%chk=000182207-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000182207

0 1
S 4.380330 -1.046986 -1.045534
S 2.993687 0.984284 -1.192883
O -4.116645 1.924487 -0.469223
O -0.116667 1.177288 -0.403148
O -3.118786 -0.131264 -1.685528
O 0.047836 -2.348783 1.347562
O 1.558044 0.478103 -2.108623
O 2.483603 1.269444 0.352446
O 3.796065 2.137320 -1.970889
N -2.447019 -1.272704 0.217865
N 1.724274 -2.588699 -0.252743
C -2.094393 1.957098 0.954230
C -3.298541 1.098238 0.408554
C -1.098045 2.273242 -0.192782
C -2.681186 3.309688 1.445231
C -1.389356 1.260222 2.146068
C -2.914288 -0.160354 -0.419820
C -2.054918 -2.471827 -0.542204
C -0.595770 -2.407912 -1.036603
C 0.402663 -2.437413 0.126114
C 2.829865 -2.710285 0.701096
C 3.785292 -1.498929 0.684927
H -3.911895 0.784780 1.278912
H -1.635430 2.388178 -1.147843
H -0.537832 3.203253 0.024146
H -3.157252 3.857406 0.616160
H -3.455103 3.139330 2.215835
H -1.884041 3.933797 1.891081
H -0.919623 0.296254 1.882191
H -0.595585 1.912889 2.557413
H -2.112247 1.081025 2.963730
H -2.160120 -1.240395 1.198494
H -4.081708 1.470777 -1.367008
H -2.199993 -3.351662 0.106939
H -2.727402 -2.546589 -1.412668
H -0.449314 -1.486565 -1.631048
H -0.400317 -3.261106 -1.715042
H 0.588096 1.192783 0.310933
H 1.958780 -2.568827 -1.249111
H 3.394050 -3.639074 0.494350
H 2.378460 -2.797104 1.706117
H 4.692717 -1.679541 1.287203
H 3.288493 -0.587470 1.079548
H 0.693718 0.832104 -1.534541


