%chk=000230220.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000230220

0 1
S 3.638452 -1.764419 0.130875
S -3.447413 -1.156455 0.046658
O 2.738850 -2.199061 -1.243610
O -2.415163 -1.281173 1.388422
O 4.973792 -2.199151 -0.152566
O 2.912702 -2.309657 1.260019
O -4.679891 -1.785433 0.416288
O -2.678259 -1.682195 -1.063386
O -0.756194 5.482546 0.423934
N 0.306026 -0.856656 0.041761
C 0.355964 -1.738291 -1.159082
C -0.014335 -1.541005 1.321122
C 0.035815 0.507510 -0.112067
C 1.455141 -2.802891 -1.056672
C -1.368934 -2.261186 1.358655
C 0.231039 1.148709 -1.369374
C -0.328505 1.313790 1.002537
C 0.091036 2.521943 -1.489232
C -0.458675 2.686068 0.864211
C -0.255149 3.312708 -0.379832
C 3.531998 -0.037996 0.092943
C -3.602580 0.559905 -0.036706
C -0.407801 4.774894 -0.501370
H -0.642530 -2.225300 -1.329806
H 0.544233 -1.121989 -2.073830
H 0.813275 -2.275554 1.532168
H 0.031834 -0.803889 2.160423
H 1.420895 -3.375486 -0.108800
H 1.383662 -3.509890 -1.910836
H -1.497656 -2.964850 0.514668
H -1.487628 -2.812722 2.315004
H 0.487888 0.552533 -2.246515
H -0.503235 0.847504 1.973960
H 0.249705 2.993602 -2.461745
H -0.728923 3.308039 1.725487
H 4.497941 0.459186 -0.091361
H 3.137442 0.398726 1.025871
H 2.851989 0.340575 -0.693323
H -4.594657 0.932925 0.268257
H -3.420257 0.973863 -1.042745
H -2.880816 1.095790 0.613780
H -0.188076 5.204932 -1.492686


%chk=000230220-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000230220

0 1
S 3.829733 -1.373828 0.102102
S -3.856321 -1.231311 0.014317
O 2.629122 -1.514182 -1.367508
O -2.673635 -1.199938 1.499487
O 5.266245 -2.007200 -0.271445
O 3.033099 -1.906600 1.416630
O -5.284448 -1.856180 0.433258
O -3.039309 -1.875534 -1.235198
O -0.406345 5.481586 0.386967
N -0.014704 -1.067712 0.039497
C 0.201635 -1.953880 -1.118165
C -0.259469 -1.741439 1.327810
C -0.000387 0.325977 -0.081966
C 1.614913 -2.569919 -1.190268
C -1.689421 -2.298839 1.493652
C 0.508270 0.968502 -1.263115
C -0.495591 1.173933 0.972087
C 0.500832 2.366508 -1.379760
C -0.480599 2.567836 0.843963
C 0.010831 3.197739 -0.335257
C 3.926727 0.516881 0.075110
C -3.982579 0.652222 -0.135180
C 0.014047 4.662464 -0.481555
H -0.527889 -2.786497 -1.071378
H -0.033652 -1.414447 -2.047976
H 0.449174 -2.587691 1.427393
H -0.016530 -1.058812 2.156178
H 1.826724 -3.142699 -0.264239
H 1.698341 -3.252899 -2.056191
H -1.920467 -3.010789 0.675434
H -1.789300 -2.828179 2.459537
H 0.947266 0.372575 -2.066158
H -0.932060 0.730451 1.869981
H 0.895031 2.828979 -2.294356
H -0.863999 3.205277 1.649097
H 4.322718 0.775954 -0.915819
H 4.608833 0.798099 0.889542
H 2.900169 0.877471 0.218863
H -4.392128 0.996737 0.823699
H -4.660797 0.845259 -0.977998
H -2.959773 1.012930 -0.303891
H 0.428695 5.031696 -1.455678


