%chk=000221698.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000221698

0 1
O -0.137657 -0.250121 0.529453
O -0.418545 1.758820 -0.619438
C -1.102607 0.582369 -0.121432
C 1.861597 1.040035 0.002102
C 1.151027 -0.343680 -0.146251
C -2.108405 0.974376 0.968350
C -1.709450 -0.043935 -1.383375
C 0.754134 2.128052 0.127970
C 1.802573 -1.573525 0.528751
C -3.101426 -0.156770 1.252422
C -2.702907 -1.154536 -1.032389
C -3.762294 -0.664210 -0.036118
C 2.696274 1.308645 -1.260117
C 2.751069 1.133932 1.248175
C 0.904088 -2.801548 0.329315
C 3.202115 -1.841006 -0.032846
H 0.956724 -0.549477 -1.223326
H -2.636007 1.890515 0.638224
H -1.563375 1.241554 1.894186
H -0.901078 -0.434854 -2.030319
H -2.203302 0.756976 -1.969693
H 0.467456 2.298997 1.179188
H 1.040597 3.083010 -0.343652
H 1.874848 -1.372036 1.626692
H -3.871460 0.191669 1.965022
H -2.567945 -0.991267 1.751969
H -2.153112 -2.014715 -0.599166
H -3.188371 -1.526540 -1.953449
H -4.467637 -1.482614 0.198499
H -4.367068 0.141702 -0.493724
H 3.418182 0.508475 -1.450766
H 2.054479 1.397789 -2.145960
H 3.262530 2.242258 -1.176283
H 3.139800 2.147303 1.391398
H 2.198744 0.855255 2.153905
H 3.617936 0.462969 1.172263
H 0.842540 -3.100633 -0.721146
H 1.270567 -3.659448 0.900272
H -0.119041 -2.582318 0.670130
H 3.186577 -1.983834 -1.118429
H 3.631256 -2.748757 0.406556
H 3.888873 -1.012875 0.189740


%chk=000221698-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000221698

0 1
O -0.178208 -0.249256 0.517561
O -0.357890 1.767893 -0.782268
C -1.116011 0.627395 -0.213729
C 1.891979 1.044869 0.060400
C 1.161617 -0.341900 -0.131982
C -2.153738 1.102976 0.820228
C -1.777672 -0.083109 -1.409163
C 0.765581 2.131760 0.096848
C 1.828824 -1.611114 0.456724
C -3.068598 -0.055769 1.284591
C -2.716866 -1.224993 -0.951826
C -3.762122 -0.727911 0.075955
C 2.812185 1.338412 -1.153087
C 2.665805 1.152345 1.396592
C 0.904503 -2.840788 0.276771
C 3.209984 -1.910232 -0.178817
H 1.014227 -0.497688 -1.223743
H -2.760557 1.892691 0.336904
H -1.631686 1.557149 1.682179
H -0.993380 -0.464606 -2.089103
H -2.347222 0.680750 -1.973040
H 0.407163 2.278873 1.135150
H 1.137367 3.093871 -0.295220
H 1.967870 -1.445763 1.543717
H -3.822140 0.327545 1.999211
H -2.456191 -0.804960 1.822283
H -2.109207 -2.027710 -0.490384
H -3.220517 -1.664481 -1.834215
H -4.391082 -1.573072 0.416542
H -4.440365 0.003184 -0.411819
H 3.563771 0.548085 -1.317883
H 2.207821 1.434297 -2.074787
H 3.353980 2.291700 -1.001988
H 2.992781 2.196955 1.563918
H 2.023254 0.859651 2.247544
H 3.570444 0.519862 1.413476
H 0.729721 -3.047524 -0.797675
H 1.370186 -3.740033 0.721397
H -0.072125 -2.671684 0.757117
H 3.125509 -2.016013 -1.277832
H 3.602386 -2.865092 0.217213
H 3.960915 -1.130566 0.032941


