%chk=000296596.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000296596

0 1
S -4.561571 0.786611 1.021668
O -2.674701 2.806658 -0.111981
O -0.315378 -1.005835 -1.764678
O 4.273006 -1.472728 -0.812739
N -0.165652 1.200448 -1.136928
N 1.659262 -0.365796 -0.706713
N 3.619763 0.402740 0.397108
C -1.503832 1.475280 -1.701616
C -2.518411 1.691294 -0.563071
C 0.533783 2.213064 -0.510496
C 0.391733 -0.177334 -1.238418
C -3.251608 0.531689 -0.086428
C 2.336745 0.643182 -0.133153
C 1.784744 1.968388 0.003752
C -3.091133 -0.809154 -0.338216
C -4.040613 -1.624672 0.364997
C -4.906281 -0.900903 1.139187
C 4.457186 -0.744153 0.121867
C 5.587712 -0.857165 1.105586
H -1.482471 2.378404 -2.354061
H -1.805446 0.620526 -2.360612
H 0.059654 3.204450 -0.432896
H 2.343951 2.760053 0.489338
H -2.324110 -1.236754 -0.987463
H 3.973256 1.114927 1.041873
H -4.045163 -2.703786 0.273462
H -5.707641 -1.273779 1.757296
H 6.166708 -1.775129 0.900610
H 5.238615 -0.931207 2.144874
H 6.293697 -0.019119 1.040250


%chk=000296596-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000296596

0 1
S -4.575843 0.808076 1.177171
O -2.658989 2.879209 -0.058848
O -0.346559 -1.028031 -1.858226
O 4.080215 -1.934609 -0.272701
N -0.154104 1.196922 -1.128897
N 1.641346 -0.407731 -0.768245
N 3.604210 0.296624 0.379215
C -1.494829 1.501115 -1.684385
C -2.529281 1.712495 -0.551505
C 0.555997 2.167774 -0.458583
C 0.372647 -0.164149 -1.279871
C -3.293880 0.561218 -0.088690
C 2.320657 0.556733 -0.135472
C 1.806578 1.895168 0.063973
C -3.199415 -0.788841 -0.456412
C -4.123701 -1.632785 0.239809
C -4.929722 -0.938775 1.138427
C 4.406326 -0.881525 0.314693
C 5.734427 -0.703830 1.058386
H -1.446639 2.444105 -2.255087
H -1.757245 0.667761 -2.352418
H 0.071589 3.143633 -0.357808
H 2.365045 2.670955 0.592464
H -2.457899 -1.155823 -1.174830
H 4.030835 1.081094 0.878616
H -4.189479 -2.712015 0.086804
H -5.713230 -1.333252 1.784362
H 6.322374 -1.625674 0.947089
H 5.566586 -0.517229 2.135562
H 6.317788 0.141585 0.647807


