%chk=000235542.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000235542

0 1
S 3.420765 1.085215 0.072526
S -3.582772 0.895233 0.077451
O -0.275735 -3.442042 -0.084159
O 3.363599 1.404825 1.729693
O -3.772768 1.035501 1.748854
O 4.738638 0.562460 -0.186046
O 3.018622 2.336252 -0.521856
O -3.902831 2.212063 -0.409395
O -4.423417 -0.237091 -0.288451
N -2.348037 -1.871481 -0.175517
C 0.869126 0.050078 -0.080326
C -0.030113 -1.077015 -0.089357
C -1.468852 -0.833061 -0.102505
C 2.275991 -0.176861 -0.036630
C -1.954982 0.495075 -0.054467
C 0.321858 1.363186 -0.122281
C 0.567603 -2.364683 -0.078935
C -1.031028 1.570633 -0.095791
C 2.791549 -1.472116 -0.036318
C 1.946397 -2.581832 -0.064231
H 0.986886 2.236816 -0.197717
H -1.421413 2.599813 -0.115950
H 3.882376 -1.635556 -0.015661
H 2.361083 -3.585596 -0.066725
H -3.376467 -1.725084 -0.233964
H -2.053778 -2.840983 -0.202802
H 0.204040 -4.314041 -0.067867
H 3.642932 2.289389 2.004530
H -4.495473 1.603503 2.051398


%chk=000235542-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000235542

0 1
S 3.567668 1.123647 0.018549
S -3.691324 0.951471 0.039581
O -0.321729 -3.506063 -0.111827
O 3.244374 1.635390 1.775714
O -3.844193 0.973346 1.896290
O 5.029289 0.436357 -0.081646
O 3.228006 2.392633 -0.929184
O -3.949888 2.451559 -0.501828
O -4.627281 -0.269728 -0.508288
N -2.382121 -1.888385 -0.128788
C 0.871716 0.056655 -0.043417
C -0.035947 -1.084416 -0.073087
C -1.486417 -0.855992 -0.076259
C 2.274882 -0.234670 -0.029278
C -1.900774 0.506426 -0.044689
C 0.357934 1.392807 -0.037905
C 0.544420 -2.400500 -0.085701
C -1.014400 1.607088 -0.025648
C 2.813983 -1.516922 -0.037038
C 1.930990 -2.617817 -0.074280
H 1.042899 2.241592 -0.048978
H -1.426426 2.621164 -0.019398
H 3.898998 -1.657989 -0.020080
H 2.330990 -3.638088 -0.087054
H -3.384915 -1.675152 -0.228058
H -2.029378 -2.846327 -0.139671
H 0.175489 -4.360181 -0.113883
H 3.803349 2.446804 1.956988
H -4.766396 1.297893 2.116366


