%chk=000282277.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000282277

0 1
O -0.815704 0.234846 0.918566
O -2.374242 -2.580232 1.537600
O -0.084429 -2.838485 1.566972
O 2.571885 0.072421 0.745676
O -5.497886 1.709703 -3.983306
O 2.671290 -1.724708 -0.617867
O 7.882377 1.600552 -2.255583
N -2.663703 0.341554 -0.524696
N -2.868280 1.755474 -2.317469
N -4.944075 -0.755578 -0.711809
N -6.261959 0.080895 -2.550471
C -1.895702 -1.860678 0.403839
C -0.358845 -2.073367 0.384547
C -2.095974 -0.335385 0.663285
C 0.250262 -0.654562 0.433269
C -1.253340 -2.903907 2.428418
C 1.409425 -0.481260 1.409872
C -1.419125 -4.339449 2.865840
C -1.155804 -1.866512 3.526200
C -3.928569 0.126152 -1.086169
C -2.056244 1.369494 -1.331250
C -4.040090 1.002042 -2.196061
C -5.257041 1.031680 -3.022542
C 3.179864 -0.688195 -0.249393
C -6.121603 -0.701271 -1.529738
C 4.401957 -0.032688 -0.725110
C 5.155034 -0.680691 -1.731664
C 4.828338 1.203401 -0.212073
C 6.314870 -0.102205 -2.216884
C 5.992286 1.803898 -0.687919
C 6.725928 1.145020 -1.688025
C 8.410931 2.877993 -1.814061
H -2.444684 -2.262642 -0.467758
H 0.055792 -2.683589 -0.445711
H -2.710600 -0.113787 1.570928
H 0.514355 -0.295308 -0.588060
H 1.695042 -1.439338 1.890897
H 1.195059 0.297062 2.170774
H -1.887161 -4.942402 2.072341
H -0.440406 -4.797174 3.076309
H -2.042143 -4.434255 3.762621
H -0.378829 -2.131588 4.255499
H -0.899110 -0.873584 3.128099
H -2.104035 -1.768336 4.069856
H -1.069889 1.747392 -1.099842
H -4.858004 -1.355474 0.100790
H -6.916443 -1.398534 -1.218631
H 4.807970 -1.643983 -2.120746
H 4.236519 1.695168 0.567130
H 6.914372 -0.577622 -2.991642
H 6.312218 2.760143 -0.286942
H 8.670541 2.834478 -0.752584
H 7.698956 3.679090 -2.032806
H 9.311547 2.971233 -2.436717


%chk=000282277-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000282277

0 1
O -0.859814 0.243931 1.305093
O -2.457038 -2.744123 1.381089
O -0.144412 -2.773526 1.885802
O 2.645478 0.231831 0.926851
O -5.143529 1.924295 -4.013183
O 2.756018 -1.735693 -0.314797
O 7.825548 1.568742 -2.625732
N -2.565849 0.433657 -0.388627
N -2.721387 2.014581 -2.036945
N -4.675700 -0.824535 -0.912975
N -5.912906 0.047889 -2.801272
C -1.816582 -1.821941 0.451094
C -0.281660 -2.000596 0.637432
C -2.094872 -0.316994 0.803486
C 0.276401 -0.566989 0.738856
C -1.480767 -3.045113 2.482373
C 1.497667 -0.369531 1.648093
C -1.587444 -4.532614 2.800627
C -1.713642 -2.122570 3.686743
C -3.728239 0.170768 -1.101699
C -1.996256 1.579360 -0.998709
C -3.823795 1.140031 -2.121941
C -4.955583 1.125620 -3.062940
C 3.236081 -0.601807 -0.045113
C -5.753142 -0.809946 -1.822379
C 4.422713 0.014043 -0.673853
C 5.120706 -0.722850 -1.673490
C 4.881650 1.308250 -0.318307
C 6.248149 -0.178663 -2.300367
C 6.012479 1.866759 -0.943500
C 6.698577 1.120624 -1.939120
C 8.337846 2.909826 -2.315176
H -2.163703 -2.077831 -0.562602
H 0.219950 -2.562972 -0.164141
H -2.852555 -0.234361 1.604332
H 0.493449 -0.193944 -0.281744
H 1.801234 -1.328519 2.098128
H 1.259771 0.365296 2.431425
H -1.418551 -5.125173 1.887734
H -0.828829 -4.810383 3.551484
H -2.587467 -4.766659 3.204089
H -1.007343 -2.385831 4.492881
H -1.544611 -1.066757 3.416118
H -2.742235 -2.245472 4.067601
H -1.086258 2.029928 -0.613943
H -4.622292 -1.525497 -0.169141
H -6.496462 -1.600626 -1.659226
H 4.758877 -1.720934 -1.940476
H 4.344598 1.872085 0.449341
H 6.797957 -0.727586 -3.070132
H 6.347370 2.867508 -0.656910
H 8.654086 2.981147 -1.257191
H 7.580976 3.686238 -2.535618
H 9.208242 3.040528 -2.973625


