%chk=000297079.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000297079

0 1
O 2.496800 2.257898 0.055182
O 5.739640 -1.024074 -0.390298
O -4.139085 1.165880 0.204936
O -4.416249 -1.710819 0.168615
N 3.408905 -1.185051 -0.069259
N -0.582194 0.284829 0.469420
N 4.371273 0.889000 -0.202928
C 2.269433 -0.225670 0.083318
C 1.251175 -0.377994 -1.058964
C 1.590653 -0.377725 1.454860
C 0.057512 0.568247 -0.859316
C 0.386179 0.568197 1.581169
C 2.996665 1.161120 -0.014732
C 3.248150 -2.670384 -0.055137
C 4.643071 -0.534734 -0.240220
C -1.837249 1.081530 0.638964
C 5.458435 1.912435 -0.351543
C -2.989160 0.273150 0.018423
C 4.050225 -3.262746 1.106474
C 3.696772 -3.249863 -1.399196
C 5.532143 2.762956 0.917176
C 5.188297 2.763501 -1.592948
C -3.242463 -1.059051 0.729133
C -5.364899 0.543992 0.040892
C -5.505070 -0.863327 0.040731
C -6.482202 1.369628 -0.103752
C -6.760103 -1.452194 -0.127367
C -7.737990 0.772721 -0.262877
C -7.874191 -0.619466 -0.282468
H 0.891068 -1.427535 -1.093334
H 1.727202 -0.186526 -2.039541
H 2.310132 -0.186415 2.273716
H 1.252803 -1.427413 1.582926
H 0.395388 1.627486 -0.955477
H -0.693901 0.389461 -1.657885
H -0.126264 0.384010 2.549741
H 0.736957 1.627326 1.585497
H 2.154792 -2.877922 0.097992
H -2.052121 1.259019 1.716158
H -1.804543 2.093060 0.175544
H 6.417306 1.335952 -0.483009
H -2.877901 0.130726 -1.078338
H 3.936549 -4.350923 1.152771
H 5.126642 -3.053823 0.996683
H 3.739870 -2.850375 2.072049
H 3.132329 -2.828007 -2.237193
H 3.572342 -4.337615 -1.423616
H 4.761979 -3.041445 -1.589099
H 5.728196 2.152402 1.805725
H 6.332478 3.507676 0.844518
H 4.593008 3.308453 1.092565
H 5.978863 3.508042 -1.738127
H 4.236734 3.309227 -1.509120
H 5.137823 2.153329 -2.501761
H -2.440337 -1.796831 0.539495
H -3.406294 -0.938422 1.813172
H -6.361941 2.450489 -0.093781
H -6.852953 -2.535931 -0.133827
H -8.617603 1.404255 -0.376666
H -8.858577 -1.065220 -0.415466


%chk=000297079-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000297079

0 1
O 2.568253 2.357453 0.083284
O 5.767185 -1.048694 -0.505444
O -4.214027 1.146416 0.337697
O -4.448037 -1.768918 0.215099
N 3.418325 -1.129969 -0.097537
N -0.574335 0.319660 0.631098
N 4.411606 0.906596 -0.256163
C 2.316534 -0.146628 0.107576
C 1.219279 -0.276702 -0.990422
C 1.666979 -0.298685 1.515361
C -0.001438 0.621000 -0.710619
C 0.427050 0.600545 1.696229
C 3.074454 1.204127 -0.016204
C 3.240897 -2.606836 -0.068955
C 4.641341 -0.518482 -0.306069
C -1.863317 1.017299 0.862881
C 5.516817 1.882153 -0.449029
C -3.030192 0.256462 0.215600
C 4.032937 -3.242375 1.098420
C 3.606465 -3.241413 -1.431753
C 5.722039 2.734360 0.823277
C 5.269966 2.743541 -1.707705
C -3.329224 -1.083155 0.897690
C -5.440403 0.500700 0.049294
C -5.551188 -0.916193 -0.025729
C -6.574610 1.308323 -0.171635
C -6.788112 -1.509293 -0.350362
C -7.814989 0.711287 -0.484173
C -7.919381 -0.697906 -0.583986
H 0.882405 -1.330755 -1.016307
H 1.649740 -0.032554 -1.979379
H 2.414353 -0.074322 2.299124
H 1.352435 -1.353363 1.634628
H 0.291797 1.693607 -0.788489
H -0.768124 0.424353 -1.481844
H -0.033776 0.376971 2.676240
H 0.737270 1.670879 1.696756
H 2.161319 -2.771386 0.112303
H -2.048055 1.079132 1.951795
H -1.867260 2.062412 0.473716
H 6.407561 1.245998 -0.610156
H -2.846525 0.077239 -0.863231
H 3.850067 -4.331777 1.129815
H 5.114256 -3.072262 0.963654
H 3.725760 -2.809742 2.067487
H 3.003726 -2.803297 -2.247419
H 3.415343 -4.329485 -1.404090
H 4.673840 -3.078280 -1.655983
H 5.919943 2.092366 1.699984
H 6.590841 3.402352 0.684349
H 4.833099 3.354656 1.028204
H 6.129569 3.418477 -1.868698
H 4.360836 3.357173 -1.590409
H 5.159912 2.108431 -2.604626
H -2.464605 -1.758798 0.822780
H -3.596184 -0.917568 1.961105
H -6.462267 2.395092 -0.103232
H -6.843554 -2.601165 -0.404890
H -8.692274 1.343544 -0.655616
H -8.877820 -1.164105 -0.834691


