%chk=000184559.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000184559

0 1
S 1.049822 1.664565 0.757043
O -3.062043 1.029007 -1.247102
O 5.050265 0.514687 0.338665
O 3.358407 1.802723 0.804369
N -2.038014 -0.630058 0.005515
N -4.433942 -0.558568 -0.245006
N -0.635771 1.227599 0.639172
N 3.859706 0.733508 0.421863
C 0.473630 -0.750161 -0.078104
C 1.557296 0.103121 0.218027
C -0.782858 -0.003332 0.189143
C 2.886037 -0.294598 0.062671
C 0.749472 -2.029991 -0.561671
C 3.160119 -1.583502 -0.412519
C 2.086521 -2.432278 -0.719103
C -3.178225 0.074659 -0.509413
C -5.613433 0.235651 -0.687253
C -4.626297 -1.233981 1.064187
H -0.060966 -2.711924 -0.823876
H -2.114635 -1.602468 0.294760
H 4.195213 -1.911961 -0.541988
H 2.297864 -3.433839 -1.097437
H -6.445375 -0.454908 -0.899528
H -5.373189 0.775471 -1.625207
H -5.938444 0.983694 0.052528
H -4.037992 -2.166121 1.091678
H -5.683883 -1.522697 1.191134
H -4.341986 -0.606596 1.925751


%chk=000184559-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000184559

0 1
S 1.105426 1.958910 0.640338
O -3.157676 1.301269 -1.149268
O 5.237856 0.036579 0.155191
O 3.855576 1.800042 0.619515
N -2.055018 -0.372680 0.103077
N -4.411421 -0.366932 -0.076892
N -0.671797 1.519091 0.571427
N 4.066899 0.559884 0.292398
C 0.444337 -0.534218 0.001000
C 1.594149 0.282865 0.222664
C -0.793045 0.232248 0.218760
C 2.881283 -0.276845 0.066873
C 0.602924 -1.883388 -0.393680
C 3.041854 -1.628201 -0.305429
C 1.898682 -2.425599 -0.540505
C -3.219923 0.276742 -0.419235
C -5.654930 0.077175 -0.728277
C -4.513138 -1.433884 0.929834
H -0.274285 -2.505497 -0.605891
H -2.111142 -1.365756 0.332281
H 4.054977 -2.025493 -0.412682
H 2.022644 -3.468535 -0.846655
H -6.135771 -0.758260 -1.272502
H -5.405137 0.879982 -1.437915
H -6.368193 0.473516 0.019470
H -4.343577 -2.447014 0.505593
H -5.529557 -1.424847 1.359287
H -3.804697 -1.263455 1.759525


