%chk=000217918.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000217918

0 1
O -0.277357 0.564592 -0.947926
O 0.240256 0.118861 1.254371
O 3.448775 -0.951930 1.082332
N -3.761342 -0.137229 0.078551
C -1.507961 0.754629 -0.195402
C -2.443389 -0.407545 -0.575970
C 0.828422 0.259409 -0.062816
C -4.685590 0.587693 -0.855875
C -4.384836 -1.406141 0.581762
C -1.065581 0.740668 1.275609
C -5.990856 0.941648 -0.124057
C -5.687656 -1.081917 1.331960
C -6.667470 -0.316288 0.434396
C 1.802080 1.425466 -0.076169
C 1.462608 -1.052445 -0.437585
C 2.883742 1.411872 0.822855
C 2.651577 -1.539104 0.131189
C 3.027848 0.256092 1.770548
C 1.648513 2.485705 -0.972434
C 0.841203 -1.839792 -1.427515
C 3.801411 2.467424 0.821178
C 3.207303 -2.779072 -0.272397
C 2.567172 3.541175 -0.968562
C 1.376474 -3.057175 -1.831544
C 3.639312 3.532275 -0.072690
C 2.566206 -3.526062 -1.247618
H -1.894630 1.737008 -0.532690
H -1.999369 -1.363267 -0.219163
H -2.491996 -0.495381 -1.682099
H -4.913622 0.002099 -1.772672
H -4.177636 1.520027 -1.183739
H -3.664312 -1.885198 1.280363
H -4.588054 -2.135747 -0.231174
H -0.956321 1.746398 1.710186
H -1.676795 0.097563 1.931118
H -6.670600 1.474722 -0.812964
H -5.769279 1.643607 0.704810
H -5.453385 -0.474530 2.229289
H -6.147125 -2.017601 1.698612
H -7.572423 -0.040351 1.006580
H -7.012725 -0.963784 -0.393551
H 3.862488 0.370607 2.489242
H 2.084433 0.042753 2.319324
H 0.810568 2.478641 -1.673684
H -0.076912 -1.463393 -1.889172
H 4.645482 2.461011 1.508636
H 4.130707 -3.114907 0.194818
H 2.446317 4.366972 -1.667355
H 0.882458 -3.645789 -2.599285
H 4.355268 4.352868 -0.071280
H 2.985001 -4.481140 -1.565142


%chk=000217918-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000217918

0 1
O -0.261815 0.317646 -1.060077
O 0.184369 -0.134269 1.201119
O 3.631777 -0.933258 1.021486
N -3.819126 -0.181646 0.114541
C -1.496446 0.626458 -0.280461
C -2.504354 -0.523611 -0.476218
C 0.855278 0.084197 -0.123044
C -4.663851 0.628973 -0.801474
C -4.556134 -1.366409 0.629375
C -0.996441 0.759778 1.171817
C -5.943686 1.119187 -0.094110
C -5.831619 -0.937124 1.382539
C -6.740850 -0.076057 0.476158
C 1.742441 1.338929 -0.068329
C 1.606515 -1.193810 -0.505122
C 2.806481 1.401412 0.875601
C 2.864339 -1.593164 0.044901
C 3.070217 0.218112 1.776977
C 1.526018 2.422423 -0.947937
C 1.022499 -2.038574 -1.487552
C 3.617999 2.556698 0.933571
C 3.488830 -2.788226 -0.400940
C 2.340124 3.576430 -0.879876
C 1.638938 -3.224394 -1.925906
C 3.385930 3.648961 0.066553
C 2.888071 -3.600256 -1.376318
H -1.901827 1.578761 -0.666888
H -2.099346 -1.420060 0.029150
H -2.570733 -0.759453 -1.565542
H -4.950046 0.030211 -1.706999
H -4.075462 1.493982 -1.159943
H -3.883999 -1.925381 1.306457
H -4.841667 -2.060471 -0.205045
H -0.702534 1.798107 1.416982
H -1.722957 0.378616 1.904273
H -6.560959 1.695741 -0.809729
H -5.657928 1.801563 0.729743
H -5.537621 -0.350949 2.274879
H -6.370392 -1.837880 1.734209
H -7.624661 0.279252 1.038667
H -7.118535 -0.698000 -0.361987
H 3.857737 0.441788 2.513258
H 2.150677 -0.113189 2.291248
H 0.724513 2.343966 -1.687827
H 0.071733 -1.717528 -1.919871
H 4.439363 2.597594 1.659079
H 4.450481 -3.050985 0.050609
H 2.160605 4.411616 -1.566050
H 1.157360 -3.842502 -2.690679
H 4.019876 4.540678 0.123806
H 3.389221 -4.517888 -1.703878


