%chk=000211254.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000211254

0 1
S 2.731170 1.143160 0.008948
O -2.580367 1.598617 -0.587512
O -4.486618 -0.160395 0.702934
O 3.866191 2.390106 -0.307271
O 2.658202 1.144286 1.440619
O 1.603334 1.553891 -0.798518
N 1.763954 -1.183516 -0.142653
N 0.862280 -3.366143 -0.693643
C 3.771398 -0.086685 -0.700374
C 3.177283 -1.470957 -0.422588
C -0.612163 -1.501403 -0.044599
C 0.764488 -2.003141 -0.314975
C -0.929153 -0.192748 -0.440647
C -2.199718 0.324467 -0.197526
C -1.569080 -2.292233 0.605825
C -3.183151 -0.485784 0.431944
C -2.851638 -1.792723 0.830958
C -1.521897 2.598105 -0.599402
C -4.922433 1.196351 0.423764
H 3.886996 0.086609 -1.791129
H 4.805996 -0.005335 -0.305013
H 3.359162 -2.153983 -1.278742
H 3.655059 -1.936855 0.472348
H -0.164202 0.440963 -0.922805
H -1.316069 -3.292848 0.956258
H -3.609461 -2.395225 1.330588
H 1.709555 -3.683155 -1.136969
H 0.033400 -3.815177 -1.056825
H 3.666443 3.261402 0.038010
H -0.648403 2.257943 -1.176545
H -1.232316 2.823170 0.430771
H -2.015386 3.445623 -1.083642
H -4.813030 1.412870 -0.645357
H -4.345772 1.905945 1.024782
H -5.973955 1.160394 0.728184


%chk=000211254-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000211254

0 1
S 3.065090 1.380688 0.078928
O -2.600362 1.675857 -0.492577
O -4.713358 -0.197880 0.131703
O 4.557343 2.402783 -0.437996
O 3.175779 1.094205 1.662686
O 1.778242 2.165178 -0.517961
N 1.663736 -1.063470 -0.259005
N 0.978347 -3.362296 -0.186530
C 3.740331 -0.119456 -0.967633
C 3.089529 -1.370475 -0.387139
C -0.690995 -1.544210 -0.084964
C 0.731122 -1.991721 -0.179238
C -0.965608 -0.170599 -0.309190
C -2.277707 0.334607 -0.240424
C -1.763498 -2.419676 0.218141
C -3.360388 -0.550903 0.080505
C -3.077725 -1.918029 0.297937
C -1.489613 2.580674 -0.839215
C -5.112520 1.089354 0.740071
H 3.391860 0.133894 -1.979801
H 4.831509 -0.033113 -0.858913
H 3.330369 -2.216144 -1.078133
H 3.543381 -1.603963 0.599555
H -0.115846 0.481057 -0.534075
H -1.600188 -3.479874 0.443496
H -3.920715 -2.570098 0.545600
H 1.928107 -3.722143 -0.146042
H 0.217583 -4.033086 -0.246977
H 4.383173 3.346317 -0.159068
H -1.004997 2.266590 -1.782038
H -0.726949 2.614702 -0.040988
H -1.960480 3.566782 -0.964827
H -4.769460 1.939472 0.131724
H -4.703154 1.175637 1.764379
H -6.211838 1.044934 0.777207


