%chk=000195162.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000195162

0 1
S 0.895590 2.363376 -1.096318
O -1.603909 0.734450 1.589148
O -0.756444 1.899335 -1.118023
O -0.831740 -1.299568 2.205342
O 0.960159 3.407776 -0.103311
O 1.196431 2.625563 -2.477083
N -2.251911 -1.062449 0.315167
C -2.425236 1.310775 0.518368
C -2.762365 0.129719 -0.420539
C -1.865041 -2.299235 -0.436543
C -1.625981 2.448147 -0.126110
C -1.475058 -0.650402 1.419813
C -0.650326 -2.063195 -1.338375
C -3.072659 -2.799841 -1.231046
C 1.651953 0.926957 -0.569100
C 2.467875 0.199596 -1.446416
C 1.458212 0.468541 0.741600
C 2.882130 -1.444574 0.289864
C 3.082821 -0.976470 -1.022140
C 2.060164 -0.713864 1.165835
C 3.533585 -2.700879 0.756792
H -3.319234 1.709002 1.047485
H -3.854642 0.020611 -0.574820
H -2.281150 0.249924 -1.418922
H -1.598511 -3.057613 0.354493
H -1.063194 3.018898 0.647269
H -2.299629 3.141417 -0.669970
H -0.370985 -2.978915 -1.871178
H -0.834343 -1.292025 -2.096095
H 0.227498 -1.742101 -0.760519
H -3.965107 -2.876728 -0.595500
H -2.877831 -3.797177 -1.643280
H -3.323346 -2.144397 -2.072233
H 2.623224 0.556260 -2.472164
H 0.819882 1.027220 1.440398
H 3.720872 -1.531962 -1.707174
H 1.870432 -1.078214 2.178878
H 3.960114 -3.297326 -0.060404
H 4.355692 -2.479276 1.456562
H 2.827710 -3.350756 1.297549


%chk=000195162-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000195162

0 1
S 1.146842 2.693147 -0.668041
O -1.542586 0.729024 1.273286
O -0.549362 2.018175 -1.274132
O -0.987467 -1.429629 2.012380
O 0.832654 3.545204 0.678504
O 1.835616 3.384516 -1.953851
N -2.324458 -1.057489 0.079928
C -2.396533 1.297015 0.186673
C -2.675929 0.098093 -0.765515
C -2.403046 -2.468550 -0.368248
C -1.679170 2.482743 -0.464477
C -1.574328 -0.696122 1.187874
C -1.360617 -2.766381 -1.473715
C -3.837801 -2.827332 -0.807490
C 2.035377 1.093885 -0.271595
C 3.010178 0.652204 -1.180192
C 1.688642 0.410063 0.905501
C 3.369516 -1.292479 0.297532
C 3.679651 -0.553821 -0.875172
C 2.366247 -0.797074 1.174816
C 4.100146 -2.581698 0.621803
H -3.326558 1.656933 0.667633
H -3.733353 0.068241 -1.079669
H -2.027012 0.152621 -1.660826
H -2.140893 -3.059812 0.529170
H -1.324146 3.180504 0.323501
H -2.373187 3.027550 -1.134254
H -1.386646 -3.838456 -1.739450
H -1.567595 -2.186766 -2.392318
H -0.341786 -2.520184 -1.126402
H -4.564901 -2.595832 -0.009492
H -3.901355 -3.906758 -1.031760
H -4.131904 -2.280519 -1.722976
H 3.237579 1.229459 -2.081737
H 0.911282 0.783529 1.578086
H 4.449584 -0.924168 -1.561249
H 2.090239 -1.360865 2.072185
H 4.669081 -2.959224 -0.244557
H 4.816484 -2.428561 1.451436
H 3.397218 -3.370588 0.944112


