%chk=000211653.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000211653

0 1
S 4.126355 -1.575330 1.243883
S 2.459936 -3.792432 0.159976
O 3.211680 0.626475 -1.473857
O -3.244010 0.956779 -1.254807
O -4.088802 -0.674088 1.028651
N 2.161918 -1.169886 -0.388129
C 2.702851 0.225168 -0.201433
C 3.841180 0.166648 0.832447
C 1.040674 -1.375604 -1.349152
C 1.634205 1.235866 0.170722
C 2.785324 -2.195439 0.251933
C -0.314576 -1.174647 -0.715775
C 0.829324 1.009383 1.297691
C 1.480186 2.407730 -0.580484
C -1.153432 -0.164822 -1.209193
C -0.747853 -1.999958 0.332189
C -0.117917 1.963474 1.675409
C 0.530827 3.359510 -0.195811
C -2.428022 0.002109 -0.658892
C -0.263763 3.141192 0.933298
C -2.019696 -1.836303 0.884671
C -2.867455 -0.840046 0.386928
C -3.642085 2.032042 -0.360116
C -5.240879 -0.905562 0.170526
H 4.765637 0.627907 0.433166
H 3.593678 0.734050 1.752237
H 1.102984 -2.410212 -1.776342
H 1.195755 -0.669360 -2.202144
H 3.913778 0.020179 -1.801605
H 0.929326 0.085472 1.869825
H 2.102701 2.573397 -1.463770
H -0.834211 0.502188 -2.009622
H -0.093929 -2.788026 0.714286
H -0.746456 1.786034 2.547699
H 0.413173 4.271830 -0.778794
H -0.994665 3.888815 1.238235
H -2.367168 -2.475639 1.695895
H -4.347288 2.597883 -0.977548
H -2.761920 2.630250 -0.107248
H -4.122581 1.629465 0.539004
H -5.286759 -1.966650 -0.089395
H -5.188217 -0.278185 -0.726620
H -6.074508 -0.617657 0.819265


%chk=000211653-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000211653

0 1
S 4.371807 -1.807173 0.896209
S 2.470181 -3.872922 -0.408225
O 3.543803 0.551875 -1.354738
O -3.528384 0.877175 -1.174140
O -4.281209 -0.876083 1.046648
N 2.121549 -1.129209 -0.361959
C 2.799203 0.194104 -0.140792
C 3.763662 -0.023363 1.052716
C 0.983205 -1.193684 -1.321795
C 1.816476 1.332857 0.140600
C 2.836698 -2.264658 -0.026807
C -0.394773 -1.090355 -0.681953
C 0.926354 1.235976 1.239694
C 1.811259 2.498127 -0.660385
C -1.336141 -0.162383 -1.182029
C -0.763523 -1.931924 0.398111
C 0.041215 2.293681 1.533320
C 0.922172 3.556816 -0.365350
C -2.627755 -0.067867 -0.624443
C 0.036984 3.459891 0.731853
C -2.058143 -1.851094 0.952070
C -3.003786 -0.934954 0.440881
C -3.919937 1.958473 -0.240200
C -5.407940 -1.221253 0.146995
H 4.611405 0.673100 0.985846
H 3.251774 0.085171 2.018865
H 1.084497 -2.164352 -1.845012
H 1.135629 -0.384353 -2.057730
H 4.246304 -0.136785 -1.498840
H 0.900330 0.326519 1.850900
H 2.505556 2.566111 -1.501354
H -1.077485 0.525236 -1.995186
H -0.045041 -2.661359 0.787361
H -0.647206 2.203581 2.380512
H 0.925882 4.456795 -0.990185
H -0.645912 4.285215 0.963783
H -2.366911 -2.504448 1.774637
H -4.638495 2.580669 -0.795454
H -3.031393 2.559036 0.033568
H -4.389125 1.542971 0.670227
H -5.323991 -2.276119 -0.176146
H -5.426234 -0.558996 -0.737123
H -6.317261 -1.086044 0.752249


