%chk=000183628.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000183628

0 1
O 1.245906 1.415556 -0.176982
O -1.792887 -3.198642 0.301187
O 1.612365 1.640010 2.067050
C -0.946367 0.335417 -0.235889
C -1.703724 -0.865159 -0.080774
C 1.142603 -0.934082 0.270810
C 2.625319 -0.994003 0.507927
C 0.475938 0.242574 -0.016802
C -1.618586 1.551647 -0.596913
C -3.132215 -0.817181 -0.206008
C -0.983448 -2.085756 0.205124
C 3.416276 -0.657160 -0.764896
C -3.006130 1.570332 -0.688818
C 0.383588 -2.132468 0.360534
C -3.753512 0.381913 -0.484717
C 4.928450 -0.683988 -0.509820
C -0.843421 2.796953 -0.892460
C -3.968946 -2.041768 -0.035285
C -3.764901 2.823822 -0.997607
C 5.717327 -0.343234 -1.772196
C 1.763880 2.049565 0.945497
C -1.169321 -4.472820 0.601452
C 2.510199 3.252601 0.476569
H 2.892062 -0.293110 1.330433
H 2.922151 -1.995133 0.880438
H 3.107390 0.340162 -1.141139
H 3.151973 -1.371522 -1.568259
H 0.908658 -3.059728 0.562487
H -4.838494 0.429714 -0.561120
H 5.188361 0.028041 0.297668
H 5.231364 -1.682861 -0.138896
H -1.417150 3.528039 -1.475513
H 0.061512 2.572900 -1.481302
H -0.524787 3.290087 0.035091
H -3.808176 -2.495814 0.956965
H -5.042429 -1.848777 -0.139989
H -3.695756 -2.812590 -0.775509
H -4.836841 2.643291 -1.147565
H -3.670533 3.548509 -0.175409
H -3.389657 3.309662 -1.910079
H 5.464967 0.654090 -2.149638
H 5.514661 -1.057272 -2.578900
H 6.796195 -0.360498 -1.582304
H -0.677321 -4.435064 1.577824
H -2.036824 -5.144242 0.623250
H -0.474960 -4.753724 -0.195581
H 2.473120 3.373833 -0.617421
H 2.100440 4.166347 0.933812
H 3.569781 3.188233 0.770171


%chk=000183628-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000183628

0 1
O 1.277385 1.533496 -0.092009
O -1.696359 -3.257206 0.301967
O 1.221793 1.937502 2.220589
C -0.960341 0.399350 -0.225220
C -1.706018 -0.859470 -0.103214
C 1.160173 -0.830939 0.314699
C 2.665988 -0.854861 0.521654
C 0.463884 0.343332 0.019995
C -1.661788 1.623724 -0.577421
C -3.141640 -0.858064 -0.288077
C -0.958307 -2.064548 0.203523
C 3.465485 -0.784897 -0.808927
C -3.062752 1.588425 -0.735787
C 0.424599 -2.045067 0.395789
C -3.764178 0.359152 -0.580599
C 4.993651 -0.798657 -0.581637
C -0.950974 2.954292 -0.796618
C -4.041970 -2.081075 -0.183141
C -3.879860 2.828236 -1.073510
C 5.795804 -0.753165 -1.900004
C 1.620374 2.244976 1.081378
C -0.977315 -4.486468 0.635698
C 2.526379 3.400895 0.716282
H 2.983086 -0.020189 1.174847
H 2.941404 -1.785208 1.055259
H 3.176766 0.133178 -1.356517
H 3.178108 -1.640695 -1.452540
H 0.972790 -2.962119 0.626654
H -4.853407 0.367248 -0.709015
H 5.275355 0.065212 0.055468
H 5.271810 -1.707811 -0.009587
H -1.619389 3.672484 -1.295244
H -0.048065 2.840964 -1.415737
H -0.640742 3.414343 0.161802
H -3.976547 -2.558178 0.809080
H -5.090153 -1.782359 -0.361059
H -3.769527 -2.858640 -0.916428
H -4.957225 2.591126 -1.072977
H -3.716810 3.644206 -0.345297
H -3.631240 3.230778 -2.074410
H 5.556980 0.159157 -2.478660
H 5.557445 -1.624722 -2.538405
H 6.885365 -0.759493 -1.712372
H -0.480692 -4.408249 1.622384
H -1.751213 -5.267860 0.670140
H -0.226877 -4.739255 -0.138695
H 2.026914 4.057878 -0.016969
H 2.781982 3.973974 1.618974
H 3.447970 3.021968 0.240390


