%chk=000187298.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000187298

0 1
O -1.860568 0.069387 -1.379253
O -1.584299 1.311729 0.534060
O -3.127568 -2.580010 1.248695
O -1.981378 -2.673087 -2.035927
O -0.122471 -1.339533 1.469126
O -5.219924 0.560068 -1.206225
O 2.192667 3.041402 -0.346414
O 2.164522 -1.641258 -0.243161
N 3.232970 2.187712 -0.671041
N 3.899498 -0.085877 -0.100731
N 4.337399 -2.401092 -0.417514
C -2.067135 -2.248323 0.336075
C -2.801203 -2.103971 -1.016937
C -1.361071 -0.980534 0.869434
C -3.118960 -0.637944 -1.363326
C -1.123358 0.145984 -0.164044
C 0.064851 3.107584 0.898979
C -1.133290 2.590200 0.046860
C -4.155302 0.003733 -0.430157
C 1.305588 2.356606 0.507373
C 0.252850 4.603342 0.604933
C -0.209115 2.875086 2.389390
C 1.792432 1.099702 0.752070
C 3.012512 1.016644 -0.024988
C 3.365578 -1.407817 -0.242591
C 3.907541 -3.817102 -0.372138
H -1.344346 -3.097225 0.281964
H -3.715738 -2.748685 -1.024077
H -1.940686 -0.563536 1.740010
H -3.433763 -0.543840 -2.433134
H -0.075887 0.240956 -0.521348
H -2.023559 3.228757 0.203539
H -0.897236 2.541535 -1.028381
H -4.669634 -0.741886 0.211468
H -3.697965 0.785650 0.209272
H 0.471724 4.790183 -0.454662
H -0.635115 5.185729 0.873176
H 1.093824 5.016980 1.177711
H -1.050690 3.482589 2.740424
H -0.475599 1.822521 2.576940
H 0.660019 3.118272 3.009558
H -2.756773 -2.919625 2.091924
H -1.252403 -2.049507 -2.277990
H 0.536981 -1.667216 0.793870
H 1.384980 0.318339 1.379022
H -4.913562 1.363294 -1.676007
H 4.823983 0.128159 -0.492723
H 5.311153 -2.230884 -0.180998
H 2.848086 -3.913623 -0.684524
H 4.001869 -4.250754 0.637400
H 4.521573 -4.402518 -1.078284


%chk=000187298-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000187298

0 1
O -2.145279 0.163319 -1.486341
O -1.572147 1.371148 0.519092
O -2.151902 -3.387395 0.688463
O -2.679874 -2.685475 -2.552694
O -0.280899 -1.333542 1.420582
O -4.349912 1.259562 0.004620
O 2.295840 3.019211 -0.355831
O 2.053062 -1.808881 0.206971
N 3.337504 2.030723 -0.626569
N 3.763724 -0.198392 0.036534
N 4.274227 -2.483233 0.030644
C -1.810094 -2.308018 -0.240216
C -2.998594 -2.125663 -1.228907
C -1.446283 -1.047180 0.585845
C -3.404388 -0.641200 -1.359543
C -1.275190 0.192360 -0.316349
C 0.095004 3.258718 0.811990
C -1.107540 2.677225 -0.004896
C -4.379459 -0.174058 -0.236162
C 1.335287 2.447456 0.500249
C 0.278896 4.738283 0.377178
C -0.215348 3.176661 2.331327
C 1.722826 1.156477 0.818605
C 2.942932 0.942508 0.091937
C 3.287023 -1.518107 0.100675
C 3.959192 -3.917934 0.037644
H -0.913503 -2.586129 -0.840167
H -3.843035 -2.737609 -0.871113
H -2.245388 -0.845436 1.317572
H -3.873571 -0.479484 -2.343990
H -0.254633 0.283585 -0.728940
H -1.963769 3.368486 0.099394
H -0.860492 2.588846 -1.079761
H -5.406487 -0.400581 -0.571511
H -4.207725 -0.743795 0.701928
H 0.462549 4.831260 -0.707392
H -0.628680 5.314051 0.632139
H 1.136038 5.194741 0.900970
H -1.123430 3.764020 2.560245
H -0.396767 2.135980 2.645464
H 0.623283 3.589133 2.919615
H -1.462326 -3.372374 1.405911
H -2.010689 -2.088112 -2.978298
H 0.540595 -1.533941 0.868127
H 1.192681 0.461389 1.464063
H -3.424076 1.479677 0.318572
H 4.716800 -0.026627 -0.293868
H 5.256080 -2.203997 0.023022
H 2.863780 -4.023404 0.049447
H 4.371081 -4.413232 0.935696
H 4.357079 -4.414720 -0.865278


