%chk=000234782.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000234782

0 1
S 0.751418 2.569082 0.003241
O 1.800992 0.139095 0.000940
O -4.666092 -1.146672 -1.083652
O -4.665833 -1.149657 1.081202
O 4.085875 -2.527159 -0.002644
O 1.914945 -2.477127 -0.000432
N -4.196218 -0.844083 -0.000861
N 3.010731 -1.950218 -0.001288
C -0.653993 1.493434 0.001918
C 2.100416 1.490706 0.001051
C -1.215109 1.118767 -1.220831
C -1.214806 1.115411 1.223770
C -2.951710 -0.027959 0.000112
C -2.380706 0.346997 -1.224475
C -2.380407 0.343631 1.225581
C 3.461904 1.717993 -0.000540
C 3.063077 -0.498817 -0.000725
C 4.084569 0.429271 -0.001455
H -0.755516 1.414715 -2.167643
H -0.754961 1.408729 2.171281
H -2.846374 0.032280 -2.166123
H -2.845831 0.026317 2.166479
H 3.973496 2.664539 -0.000910
H 5.145432 0.227824 -0.002696


%chk=000234782-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000234782

0 1
S 0.775894 2.697088 0.003789
O 1.818664 0.126463 0.002570
O -4.687546 -1.217423 -1.143822
O -4.685869 -1.223224 1.139587
O 4.242539 -2.526682 -0.000514
O 1.939870 -2.590447 0.004239
N -4.193470 -0.878723 -0.001610
N 3.070712 -1.963691 0.001040
C -0.696771 1.567497 0.002007
C 2.120392 1.494073 0.000965
C -1.263077 1.175731 -1.231037
C -1.261208 1.169423 1.233879
C -2.968489 -0.025793 -0.000346
C -2.416143 0.364787 -1.237627
C -2.414245 0.358424 1.238076
C 3.502848 1.692066 -0.002293
C 3.066997 -0.531669 0.000269
C 4.106880 0.388357 -0.002388
H -0.807674 1.496949 -2.172103
H -0.804334 1.485780 2.175873
H -2.883069 0.035423 -2.169040
H -2.879702 0.024238 2.168505
H 4.015523 2.650693 -0.004256
H 5.166578 0.147759 -0.004465


