%chk=000287058.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000287058

0 1
O 5.841817 -1.729174 -1.190417
O 5.594344 0.750498 -1.243336
O -3.541217 -2.277466 0.961110
O -4.069320 1.476920 2.257371
O -2.659204 3.533622 1.787739
N -2.317359 -2.220987 -0.973916
C -0.002284 -1.740237 0.750464
C 2.296011 -1.521706 -0.024393
C -1.167485 -2.578009 1.190042
C -3.301854 -0.340611 -2.325874
C 2.155335 -0.110301 -0.053822
C -3.464698 -1.778981 -1.803052
C 1.192772 -2.325846 0.382322
C -3.116747 0.702991 -1.256351
C -0.141569 -0.322450 0.723722
C 0.910671 0.469841 0.329145
C -2.446752 -2.315903 0.413978
C 3.545151 -2.120467 -0.406867
C 3.261224 0.708830 -0.465886
C 4.590255 -1.326914 -0.796084
C 4.444718 0.124359 -0.826615
C -3.755818 0.565094 -0.005703
C -2.320880 1.818561 -1.506101
C -3.560089 1.517502 0.983477
C -2.748422 2.669619 0.716523
C -2.140932 2.811256 -0.522676
C 6.109697 -3.154264 -1.184869
C 5.573023 2.199014 -1.296654
C -4.814996 0.285069 2.626135
C -1.916336 4.758412 1.581583
H -1.374081 -2.385455 2.270680
H -0.938093 -3.664554 1.139615
H -4.204108 -0.076796 -2.921487
H -2.456542 -0.301804 -3.044027
H -3.557447 -2.482292 -2.661443
H -4.404965 -1.873752 -1.205044
H 1.315050 -3.406780 0.400925
H -1.093786 0.126833 1.015448
H 0.802120 1.553962 0.304346
H -1.396438 -2.077755 -1.386302
H 3.628402 -3.202287 -0.373594
H 3.126368 1.786075 -0.477856
H -4.384756 -0.308153 0.186019
H -1.824056 1.941223 -2.465154
H -1.524309 3.675166 -0.750651
H 7.153119 -3.181032 -1.526478
H 5.451817 -3.668265 -1.890997
H 6.018021 -3.555506 -0.171679
H 6.591372 2.419202 -1.643968
H 5.399986 2.614923 -0.300162
H 4.828577 2.542887 -2.019930
H -5.781228 0.285076 2.115433
H -4.243461 -0.627262 2.401647
H -4.933364 0.424797 3.706632
H -2.032893 5.250791 2.556347
H -2.371805 5.354706 0.786254
H -0.865255 4.538380 1.378128


%chk=000287058-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000287058

0 1
O 6.166787 -2.470453 -1.411681
O 6.279898 0.145019 -1.609776
O -3.221039 -2.387468 0.971304
O -4.982091 1.328876 2.287867
O -4.053948 3.805307 2.010467
N -1.889947 -1.678969 -0.807377
C 0.436713 -1.471462 0.836769
C 2.729520 -1.630337 -0.084784
C -0.819337 -2.120853 1.391057
C -3.174987 -0.034960 -2.227155
C 2.792667 -0.191585 -0.194407
C -2.993608 -1.504038 -1.762634
C 1.540547 -2.237217 0.433571
C -3.380330 0.986577 -1.111330
C 0.510532 -0.040799 0.719673
C 1.657665 0.578687 0.218296
C -2.081816 -2.068029 0.500967
C 3.863168 -2.408950 -0.493770
C 3.985025 0.418762 -0.707298
C 5.016839 -1.800051 -0.991461
C 5.079573 -0.353479 -1.100788
C -4.107570 0.656005 0.062977
C -2.867703 2.294490 -1.237141
C -4.311487 1.598732 1.091918
C -3.797791 2.928638 0.946399
C -3.079681 3.260598 -0.222262
C 6.156923 -3.932142 -1.316382
C 6.395853 1.599524 -1.736221
C -5.491032 -0.038888 2.474567
C -3.544072 5.169785 1.881665
H -1.118582 -1.649080 2.345418
H -0.642463 -3.188755 1.619295
H -4.044956 -0.025642 -2.917682
H -2.300734 0.267259 -2.837696
H -2.822520 -2.141922 -2.651974
H -3.901235 -1.879202 -1.259458
H 1.501253 -3.331170 0.519720
H -0.349152 0.565407 1.030046
H 1.698946 1.671923 0.140092
H -0.948383 -1.387409 -1.083444
H 3.806405 -3.498375 -0.404906
H 4.020054 1.510230 -0.781221
H -4.485617 -0.361250 0.194822
H -2.296907 2.573325 -2.131078
H -2.675171 4.269251 -0.350974
H 7.141344 -4.248440 -1.690045
H 5.357317 -4.369709 -1.945652
H 6.027840 -4.264520 -0.267782
H 7.400307 1.770150 -2.149508
H 6.305681 2.096457 -0.750477
H 5.631100 2.004428 -2.427662
H -6.283127 -0.270527 1.735694
H -4.683925 -0.791211 2.393930
H -5.917499 -0.040943 3.488427
H -3.855634 5.677984 2.806081
H -3.983652 5.686034 1.005015
H -2.438661 5.184988 1.801688


