%chk=000185716.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000185716

0 1
O -1.570274 0.227956 -0.363113
O 1.263646 -1.308027 -0.447340
O -0.408181 3.639365 -0.205263
O 3.414347 0.239784 -0.616172
O -1.548771 1.874652 -1.921633
O 1.462014 -1.409377 1.810243
O 4.586265 -1.501761 0.255841
N -3.291218 -2.427815 0.144679
C -2.120039 -2.108638 -0.764128
C -2.317940 -0.656722 -1.271739
C -3.808916 -0.341816 -1.074667
C -4.366789 -1.422889 -0.126455
C -0.893648 -2.356678 0.093714
C -2.743617 -2.413385 1.554661
C -1.245924 -2.495511 1.383431
C -0.797197 2.385960 0.359655
C 1.618110 1.569896 0.043875
C 0.457589 1.806792 1.029400
C 0.462696 -2.529723 -0.490870
C 2.549876 0.426004 0.544362
C -1.318477 1.495986 -0.795177
C -1.940615 2.615718 1.372381
C 1.723045 -0.868227 0.764648
C 2.412454 2.850542 -0.203913
C 3.372207 0.719279 1.781892
C -3.282180 2.919128 0.717074
C 4.394308 -0.733133 -0.653177
C 5.092345 -0.624124 -1.963667
H -2.169227 -2.809274 -1.632762
H -1.944622 -0.484977 -2.298934
H -4.342435 -0.338715 -2.040597
H -3.938177 0.676949 -0.647045
H -4.774083 -0.979716 0.801682
H -5.199212 -1.980958 -0.609036
H -3.147907 -3.310499 2.071001
H -3.036374 -1.522728 2.144781
H -0.588404 -2.653785 2.227593
H 1.207506 1.218344 -0.943008
H 0.168876 0.866291 1.546758
H 0.787331 2.506731 1.826131
H 1.034951 -3.325438 0.027157
H 0.447186 -2.716542 -1.582536
H -1.645390 3.460571 2.030306
H -2.037440 1.726399 2.027984
H 2.854052 3.257510 0.710732
H 3.221612 2.678568 -0.924132
H 1.750001 3.630689 -0.615031
H 3.980702 -0.154333 2.077224
H 4.061457 1.556359 1.616496
H 2.736992 0.965116 2.642679
H -1.014748 3.907688 -0.938236
H -3.215955 3.758747 0.014336
H -3.679144 2.048333 0.165194
H -4.032450 3.190794 1.470274
H 5.026675 -1.574392 -2.517566
H 6.161369 -0.402672 -1.819323
H 4.666240 0.166203 -2.603960


%chk=000185716-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000185716

0 1
O -1.619897 0.251391 -0.288329
O 1.248834 -1.327766 -0.392125
O -0.708295 3.796231 -0.073468
O 3.447574 0.337751 -0.741379
O -1.578951 1.981071 -1.848472
O 1.563637 -1.209535 1.916129
O 4.208383 -1.714524 0.067944
N -3.284327 -2.304370 0.031627
C -2.020819 -2.131587 -0.765483
C -2.107437 -0.698069 -1.348426
C -3.627975 -0.513202 -1.530975
C -4.218749 -1.183477 -0.261469
C -0.907519 -2.476710 0.213228
C -2.937809 -2.576062 1.455521
C -1.429569 -2.726473 1.442631
C -0.895937 2.446153 0.475159
C 1.569497 1.663082 -0.011826
C 0.451142 1.910824 1.042876
C 0.529981 -2.641540 -0.186165
C 2.557489 0.538951 0.464175
C -1.396408 1.550718 -0.678131
C -1.964097 2.510824 1.607288
C 1.773362 -0.762910 0.767883
C 2.321727 2.964430 -0.375011
C 3.426320 0.916622 1.672878
C -3.330200 3.050764 1.142170
C 4.231248 -0.814863 -0.804294
C 5.083873 -0.819747 -2.054043
H -1.995968 -2.817954 -1.642261
H -1.513008 -0.529104 -2.261110
H -3.941472 -1.057274 -2.441165
H -3.915544 0.543273 -1.648979
H -4.242466 -0.453127 0.580423
H -5.251291 -1.539542 -0.431161
H -3.437843 -3.489947 1.837611
H -3.251069 -1.736041 2.121838
H -0.845579 -2.999852 2.325801
H 1.112896 1.258114 -0.937088
H 0.220672 0.982651 1.596692
H 0.796574 2.656937 1.783350
H 1.091385 -3.208816 0.574515
H 0.631186 -3.120387 -1.174921
H -1.551696 3.175867 2.389671
H -2.073030 1.502691 2.049406
H 2.776740 3.427276 0.519578
H 3.115768 2.770289 -1.115176
H 1.606954 3.695208 -0.785149
H 4.041800 0.059264 1.987222
H 4.081364 1.763996 1.414514
H 2.788270 1.202382 2.525268
H -1.007389 3.776457 -1.025644
H -3.213210 4.048236 0.684846
H -3.806292 2.382327 0.399243
H -4.022322 3.142924 1.998037
H 4.861461 -1.726538 -2.642640
H 6.149383 -0.867332 -1.768913
H 4.903145 0.074541 -2.667018


