%chk=000280959.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000280959

0 1
S 4.237063 0.139447 0.090536
S -4.237068 -0.139565 -0.090630
O 4.481527 1.464616 0.618834
O 4.904747 -1.023710 0.631518
O -4.904707 1.023174 -0.632559
O -4.481429 -1.465132 -0.617985
N 4.669018 0.206924 -1.570692
N -4.669249 -0.205779 1.570589
C 0.234411 0.669341 0.020119
C -0.234422 -0.669437 -0.020206
C 2.524760 -0.144015 0.050580
C -2.524770 0.143921 -0.050668
C 1.647196 0.909344 0.057231
C -1.647204 -0.909439 -0.057317
C 0.707991 -1.746043 -0.018686
C -0.708001 1.745946 0.018600
C 2.055538 -1.487800 0.017610
C -2.055549 1.487704 -0.017698
H 2.002422 1.946390 0.100859
H -2.002442 -1.946487 -0.100936
H 0.336260 -2.771035 -0.044801
H -0.336271 2.770939 0.044716
H 2.782780 -2.307270 0.034937
H -2.782781 2.307176 -0.035029
H 4.990443 1.094786 -1.950574
H 5.237974 -0.545001 -1.953755
H -5.238578 0.546244 1.952905
H -4.990359 -1.093442 1.951201


%chk=000280959-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000280959

0 1
S 4.359698 0.176483 0.049840
S -4.359743 -0.176380 -0.049940
O 4.554825 1.713025 0.555048
O 5.079869 -1.102756 0.752533
O -5.079909 1.102801 -0.752740
O -4.554855 -1.712959 -0.555043
N 4.840955 0.084975 -1.721142
N -4.841031 -0.084729 1.721027
C 0.237168 0.684595 0.041541
C -0.237214 -0.684488 -0.041624
C 2.504776 -0.159988 -0.006262
C -2.504822 0.160095 0.006175
C 1.649510 0.928258 0.057438
C -1.649556 -0.928150 -0.057523
C 0.707673 -1.763070 -0.095858
C -0.707719 1.763177 0.095776
C 2.080063 -1.513216 -0.077425
C -2.080109 1.513323 0.077340
H 2.048071 1.945594 0.140481
H -2.048119 -1.945486 -0.140563
H 0.338763 -2.792895 -0.150004
H -0.338809 2.793002 0.149924
H 2.817246 -2.321213 -0.094119
H -2.817290 2.321322 0.094036
H 5.052458 1.036791 -2.063133
H 5.639955 -0.566248 -1.797259
H -5.640071 0.566455 1.797065
H -5.052486 -1.036523 2.063109


