%chk=000237439.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000237439

0 1
S 2.367041 -0.107769 1.085843
O 2.441373 -1.153805 2.080197
O 1.983016 1.247123 1.480497
N -0.504463 1.050923 0.678556
N -1.846709 1.231092 0.699177
C 1.225825 -0.615559 -0.179373
C -0.156564 -0.152560 0.047467
C 3.874309 -0.025394 0.238604
C -1.358746 -0.746199 -0.354357
C -2.400285 0.144034 0.067236
C -3.842862 -0.017318 -0.120088
C 4.264701 1.167892 -0.377566
C 4.718042 -1.140206 0.206298
C 5.484828 1.237476 -1.055807
C 5.938624 -1.073389 -0.471617
C -4.396463 -1.303502 -0.244645
C -4.682865 1.108780 -0.177845
C 6.319555 0.115186 -1.104565
C -5.771942 -1.456718 -0.432999
C -6.057160 0.946502 -0.365771
C -6.603974 -0.334234 -0.495917
H 1.551598 -0.280940 -1.191479
H 1.213392 -1.729860 -0.264368
H -1.489598 -1.669391 -0.875315
H 0.128350 1.718658 1.147008
H 3.623014 2.054329 -0.318704
H 4.432241 -2.063335 0.723252
H 5.788925 2.166291 -1.537423
H 6.595662 -1.942063 -0.498718
H -3.755097 -2.180767 -0.184944
H -4.256406 2.107212 -0.068514
H 7.273286 0.169108 -1.632302
H -6.197123 -2.454154 -0.527886
H -6.703896 1.821197 -0.408957
H -7.674831 -0.457241 -0.642677


%chk=000237439-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000237439

0 1
S 2.257793 0.195147 0.764293
O 2.000522 -0.893488 1.953124
O 1.967532 1.809974 0.976113
N -0.677685 1.355454 -0.120684
N -2.029970 1.443121 0.109458
C 1.116494 -0.228457 -0.863021
C -0.282946 0.091620 -0.551502
C 4.055244 0.024906 0.187196
C -1.459709 -0.677267 -0.620898
C -2.524939 0.195732 -0.223391
C -3.971327 -0.081363 -0.135115
C 4.666962 1.137501 -0.413130
C 4.704907 -1.196307 0.431133
C 6.015468 1.000706 -0.818915
C 6.052823 -1.311803 0.017921
C -4.494951 -1.359058 -0.469687
C -4.869793 0.935091 0.292295
C 6.699860 -0.220210 -0.609152
C -5.879677 -1.615064 -0.379293
C -6.252362 0.677135 0.381986
C -6.765830 -0.598683 0.046548
H 1.608524 0.439355 -1.588087
H 1.300695 -1.289243 -1.080521
H -1.528391 -1.716335 -0.933283
H -0.033850 2.082466 0.215280
H 4.120835 2.080331 -0.522717
H 4.185005 -2.008648 0.950065
H 6.529491 1.846643 -1.286745
H 6.595553 -2.246370 0.193184
H -3.822190 -2.158618 -0.799948
H -4.464490 1.918175 0.551274
H 7.744908 -0.316870 -0.922547
H -6.267095 -2.606421 -0.639842
H -6.931705 1.470172 0.714180
H -7.840907 -0.797925 0.116731


