%chk=000104492.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000104492

0 1
O 6.452570 -1.638270 -0.370168
O -0.438331 -1.720485 0.676997
O -3.580672 1.481342 -0.430134
N 3.855128 -0.478509 -0.109259
N 0.260073 0.459005 0.533665
N -2.063131 -0.151203 0.123532
C 2.423909 -0.252773 -0.487337
C 1.651372 -0.003385 0.825788
C 4.098249 -1.917524 0.242284
C 4.777253 -0.064769 -1.218534
C 5.563183 -2.073210 0.678973
C 6.226562 -0.264944 -0.744756
C -0.016067 1.820077 0.282437
C -0.739124 -0.564087 0.454320
C -1.339021 2.196588 -0.035974
C -2.433640 1.222138 -0.140010
C 0.996674 2.808683 0.352952
C -3.092066 -1.190007 0.055820
C -1.637945 3.557361 -0.268621
C 0.674850 4.137424 0.119178
C -0.643628 4.520259 -0.192839
C -3.927463 -1.253462 -1.070282
C -3.232312 -2.098225 1.116797
C -4.915405 -2.239679 -1.124309
C -4.222294 -3.080556 1.039651
C -5.063720 -3.152895 -0.075414
H 1.967001 -1.098917 -1.045615
H 2.339999 0.636279 -1.149502
H 2.173470 0.751964 1.456279
H 1.597178 -0.940972 1.431182
H 3.880771 -2.610901 -0.599358
H 3.421558 -2.197799 1.077566
H 4.601039 1.008312 -1.443138
H 4.607881 -0.634493 -2.157698
H 5.781845 -1.499081 1.596438
H 5.849928 -3.131517 0.809135
H 6.955894 -0.117797 -1.560428
H 6.470198 0.386825 0.112801
H 2.022386 2.529834 0.595726
H -2.671815 3.829913 -0.509991
H 1.454125 4.900719 0.177280
H -0.875403 5.568399 -0.371749
H -3.825664 -0.529686 -1.878905
H -2.566355 -2.053688 1.978316
H -5.573629 -2.293361 -1.990873
H -4.336389 -3.793486 1.855555
H -5.834422 -3.919643 -0.126479


%chk=000104492-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000104492

0 1
O 6.399042 -1.900574 -0.450585
O -0.349020 -1.713353 0.620670
O -3.668457 1.475559 -0.323816
N 3.877832 -0.483156 -0.161844
N 0.272303 0.536569 0.528412
N -2.018336 -0.125801 0.155954
C 2.495667 -0.062952 -0.479241
C 1.666820 0.115337 0.815717
C 3.988405 -1.935789 0.148010
C 4.856780 -0.112922 -1.218528
C 5.422524 -2.269447 0.588511
C 6.279615 -0.465316 -0.754115
C -0.050135 1.892431 0.301970
C -0.677128 -0.507545 0.445591
C -1.400397 2.247220 0.014366
C -2.459075 1.218936 -0.069887
C 0.932673 2.921068 0.358681
C -3.010773 -1.195734 0.079952
C -1.753163 3.602813 -0.200371
C 0.562927 4.261620 0.144041
C -0.781789 4.614904 -0.135736
C -3.678613 -1.436026 -1.139489
C -3.301487 -1.964135 1.227168
C -4.649528 -2.458448 -1.209384
C -4.269073 -2.988935 1.149158
C -4.945751 -3.237617 -0.067365
H 1.969738 -0.790168 -1.143981
H 2.542032 0.900992 -1.020089
H 2.149549 0.849825 1.480280
H 1.601806 -0.842818 1.353073
H 3.722337 -2.555489 -0.744091
H 3.287205 -2.199418 0.960173
H 4.790621 0.975774 -1.406004
H 4.646669 -0.643841 -2.180621
H 5.657596 -1.730652 1.531805
H 5.548904 -3.354162 0.738838
H 7.018466 -0.268736 -1.548505
H 6.532258 0.131371 0.149254
H 1.978662 2.686118 0.568764
H -2.804275 3.820805 -0.415098
H 1.332807 5.039512 0.194687
H -1.056517 5.661048 -0.300554
H -3.451995 -0.821825 -2.015973
H -2.768543 -1.770515 2.162914
H -5.173101 -2.644174 -2.153300
H -4.493252 -3.590700 2.036451
H -5.698231 -4.031855 -0.124562


