%chk=000226007.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000226007

0 1
S -1.823612 -0.642665 1.157638
O 3.687151 0.544734 -2.041997
O 5.004339 -0.421452 1.882558
O 2.102913 2.048263 -0.412093
N 0.410148 0.531567 -0.673823
C 3.489506 -0.848845 -0.018792
C 2.759589 -0.131057 -1.199278
C 4.283264 0.195581 0.810398
C 4.466198 -1.869835 -0.612084
C 2.450177 -1.550861 0.864830
C 1.741552 0.916216 -0.705661
C -0.632824 1.454723 -0.169543
C -1.134419 1.040726 1.208749
C -3.385752 -0.405718 0.369786
C -4.488840 -0.032040 1.139574
C -3.501696 -0.654479 -0.998837
C -5.736753 0.098127 0.520404
C -4.754096 -0.523675 -1.609428
C -5.868005 -0.146757 -0.851162
H 2.306921 -0.881005 -1.889175
H 5.093016 0.655075 0.210148
H 3.631512 0.990910 1.215341
H 3.960046 -2.750763 -1.014718
H 5.181573 -2.208427 0.151227
H 5.053902 -1.422641 -1.427588
H 1.800409 -0.845161 1.393238
H 1.809742 -2.227052 0.287711
H 2.943028 -2.172410 1.624326
H 0.127793 -0.437104 -0.806959
H 3.943293 1.419549 -1.645288
H -0.210079 2.492821 -0.125113
H -1.467787 1.482844 -0.908530
H 4.384231 -0.828287 2.519953
H -1.882836 1.760345 1.589960
H -0.311960 1.018436 1.953274
H -4.387100 0.150864 2.209845
H -2.635601 -0.952220 -1.589362
H -6.606925 0.387778 1.107944
H -4.861027 -0.716395 -2.676058
H -6.841590 -0.045310 -1.330012


%chk=000226007-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000226007

0 1
S -1.864543 -0.812266 1.349026
O 3.752219 0.708143 -2.026336
O 4.962686 -0.516396 1.950135
O 2.056213 2.245109 -0.677836
N 0.483740 0.550736 -0.399655
C 3.504882 -0.834910 -0.082352
C 2.778154 -0.024827 -1.222759
C 4.281975 0.157791 0.831487
C 4.507751 -1.800253 -0.764152
C 2.490086 -1.654721 0.754791
C 1.733911 1.009163 -0.728063
C -0.592816 1.429715 0.081385
C -1.157722 0.959752 1.429958
C -3.424022 -0.490090 0.404545
C -4.460527 0.280429 0.983695
C -3.594612 -1.067978 -0.875120
C -5.661938 0.489490 0.269415
C -4.806618 -0.869440 -1.578188
C -5.838083 -0.086234 -1.011383
H 2.281948 -0.759602 -1.889653
H 5.093777 0.629640 0.256238
H 3.606237 0.953478 1.210414
H 3.980492 -2.624733 -1.281239
H 5.179870 -2.235138 -0.003342
H 5.114890 -1.255777 -1.506828
H 1.856549 -1.018158 1.401249
H 1.824002 -2.253867 0.103689
H 3.027624 -2.375568 1.397124
H 0.274336 -0.450352 -0.450352
H 3.635613 1.672349 -1.779634
H -0.161868 2.442564 0.176294
H -1.407888 1.474241 -0.667076
H 4.285847 -0.801611 2.613803
H -1.966546 1.626292 1.770875
H -0.374313 0.911555 2.204864
H -4.337244 0.696133 1.989974
H -2.790608 -1.667340 -1.314788
H -6.462314 1.087457 0.718776
H -4.938526 -1.320724 -2.567636
H -6.773215 0.070348 -1.559943


