%chk=000101480.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000101480

0 1
S -0.393583 2.088206 0.159815
O -1.024546 3.118447 -0.646077
O -0.081081 2.334410 1.553612
N 1.069029 1.743095 -0.662351
N 3.364475 -1.032798 0.405833
C 2.189021 1.110119 0.070774
C 2.419254 -0.307936 -0.503903
C -1.287480 0.618768 0.037960
C -1.116583 -0.388000 0.993961
C -2.191286 0.435300 -1.014581
C 4.778245 -0.625619 0.148983
C 3.217906 -2.510591 0.243704
C -2.740921 -1.769525 -0.163389
C -1.836409 -1.579321 0.895284
C -2.915050 -0.752001 -1.118881
C -3.526109 -3.033528 -0.272058
H 3.115165 1.718130 -0.016069
H 1.974618 1.045314 1.165616
H 1.448545 -0.850391 -0.533626
H 2.767737 -0.245713 -1.554881
H 1.364717 2.350904 -1.429351
H -0.422398 -0.240906 1.829881
H -2.338254 1.230441 -1.755153
H 4.879533 0.457632 0.321884
H 5.150417 -0.850899 -0.860834
H 5.432715 -1.128549 0.879302
H 3.892386 -3.016223 0.953786
H 3.432551 -2.890986 -0.765271
H 2.190555 -2.801079 0.515592
H -1.700655 -2.356602 1.644656
H -3.619001 -0.888437 -1.937364
H -3.538513 -3.423537 -1.300049
H -3.138953 -3.835362 0.371016
H -4.575246 -2.867461 0.020180


%chk=000101480-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000101480

0 1
S -0.303167 1.936662 0.470533
O -1.082423 3.255220 -0.089840
O 0.216992 1.820438 2.015298
N 1.148793 1.754769 -0.721334
N 3.685967 -0.864178 0.383030
C 2.389246 1.222955 -0.086553
C 2.436530 -0.315422 -0.190395
C -1.352302 0.414032 0.132541
C -1.370707 -0.602138 1.098810
C -2.109931 0.373397 -1.049199
C 4.865115 -0.654476 -0.481185
C 3.552292 -2.277585 0.790664
C -2.964703 -1.828102 -0.331604
C -2.187044 -1.729069 0.851085
C -2.914623 -0.763427 -1.272990
C -3.855197 -3.031752 -0.579785
H 3.233538 1.676112 -0.639742
H 2.487065 1.520948 0.977344
H 1.587132 -0.732956 0.381476
H 2.285757 -0.610718 -1.259012
H 1.250372 2.731795 -1.061058
H -0.782133 -0.500943 2.016829
H -2.081103 1.204321 -1.760669
H 5.016526 0.420617 -0.680727
H 4.785660 -1.180748 -1.467303
H 5.769390 -1.025546 0.033211
H 4.479036 -2.605993 1.295004
H 3.362609 -2.974117 -0.065729
H 2.719792 -2.381297 1.508862
H -2.222137 -2.537397 1.590192
H -3.514574 -0.823824 -2.188494
H -3.744103 -3.410099 -1.611912
H -3.625476 -3.858073 0.113886
H -4.921390 -2.768106 -0.443231


