%chk=000245340.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000245340

0 1
O 1.310066 0.972599 -0.632481
O -0.143188 -0.866366 0.521750
O 1.797731 1.852693 1.404089
O 6.825192 1.779348 2.252491
O 3.991865 -2.441129 -2.590031
O 8.055851 0.302240 1.251676
O 6.088142 -2.638082 -2.076418
N 7.000487 0.867466 1.466763
N 4.986209 -2.135925 -1.959658
C -5.084867 -0.000206 0.129910
C -2.278532 0.089236 0.109646
C -6.564223 -0.043524 0.135434
C -4.342538 -1.182601 0.277062
C -4.415931 1.227413 -0.020615
C -2.948749 -1.135645 0.273428
C -3.022517 1.270968 -0.032343
C -0.792201 0.068853 0.112150
C 3.460331 0.569325 0.188207
C -0.090310 1.300195 -0.464844
C -7.286876 0.718139 1.067170
C -7.247460 -0.847186 -0.790745
C 3.583912 -0.462971 -0.752731
C 4.570156 1.006708 0.924324
C 5.817750 0.404332 0.696288
C 4.844206 -1.047112 -0.959214
C 5.971503 -0.626407 -0.240842
C 2.140607 1.200718 0.450056
C -8.683352 0.672375 1.071110
C -8.644201 -0.883771 -0.784579
C -9.363306 -0.126174 0.145674
H -4.856810 -2.135531 0.405610
H -4.992176 2.145938 -0.133411
H -2.363387 -2.052119 0.402000
H -2.524104 2.233707 -0.143549
H -0.409599 1.527908 -1.499684
H -0.204646 2.190021 0.185521
H -6.758929 1.337058 1.791500
H -6.689155 -1.436248 -1.517200
H 2.703358 -0.812631 -1.320633
H 4.467602 1.809162 1.674616
H 6.957194 -1.096373 -0.408374
H -9.242973 1.260222 1.797600
H -9.173418 -1.504904 -1.506151
H -10.451716 -0.158518 0.149830


%chk=000245340-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000245340

0 1
O 1.344305 0.910450 -0.862376
O -0.144744 -1.032118 0.274237
O 1.663410 1.451180 1.388487
O 6.254152 0.717399 3.232032
O 4.771057 -1.256120 -3.488549
O 7.857959 -0.285981 1.954998
O 6.847690 -1.631053 -2.619421
N 6.669213 0.174884 2.140430
N 5.636756 -1.199559 -2.536348
C -5.162348 -0.001869 0.141057
C -2.302637 0.006915 -0.051745
C -6.647951 -0.006920 0.239039
C -4.392953 -1.126000 0.562511
C -4.464623 1.126263 -0.377020
C -2.993010 -1.122982 0.468478
C -3.061839 1.133861 -0.472400
C -0.815607 -0.041181 -0.127118
C 3.484519 0.466157 0.101860
C -0.088188 1.191891 -0.715118
C -7.368929 1.194854 0.486626
C -7.384810 -1.215044 0.088316
C 3.885564 -0.115247 -1.123093
C 4.395348 0.562816 1.179585
C 5.703593 0.073878 1.007130
C 5.206329 -0.588163 -1.245096
C 6.141738 -0.509170 -0.196728
C 2.094819 0.980247 0.313227
C -8.776165 1.188845 0.581678
C -8.792235 -1.221238 0.180324
C -9.495427 -0.019340 0.428255
H -4.900474 -1.994411 0.995674
H -5.031331 1.991556 -0.736541
H -2.401121 -1.981501 0.802488
H -2.568356 2.021925 -0.882529
H -0.440461 1.422651 -1.732848
H -0.236257 2.065207 -0.051661
H -6.824104 2.133117 0.640701
H -6.856839 -2.148773 -0.135306
H 3.186711 -0.203314 -1.957498
H 4.082540 1.005412 2.129833
H 7.161618 -0.884784 -0.311235
H -9.310823 2.123276 0.784344
H -9.340728 -2.160576 0.050472
H -10.588366 -0.024242 0.501251


