%chk=000297051.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000297051

0 1
O 0.549861 1.473010 -0.827217
O -1.522256 0.718323 -1.923276
O -0.007559 0.967681 1.308363
N 5.561972 0.362902 0.646133
C 2.917775 1.182976 -0.336993
C 4.218985 1.820133 -0.857750
C 3.141739 0.683008 1.100659
C 5.382855 0.818339 -0.772635
C 4.317607 -0.302946 1.158327
C 1.759498 2.186157 -0.405733
C 6.724145 -0.570867 0.743628
C -1.431341 0.202308 -0.590258
C -0.252292 0.912714 0.128171
C -2.764506 0.525572 0.063530
C -1.176296 -1.298948 -0.619990
C -2.907007 0.472165 1.457154
C -1.520540 -2.020359 -1.771170
C -3.864614 0.850127 -0.742587
C -0.642219 -1.965865 0.490664
C -4.148296 0.741640 2.038742
C -1.315215 -3.401674 -1.816579
C -5.103223 1.119674 -0.154234
C -0.440092 -3.347673 0.440746
C -5.247250 1.064008 1.235495
C -0.773269 -4.066586 -0.711967
H 2.654841 0.310876 -0.988408
H 4.466993 2.717575 -0.255588
H 4.100686 2.160299 -1.902068
H 2.221640 0.206702 1.493120
H 3.349714 1.540287 1.772665
H 6.324039 1.320805 -1.086048
H 5.212729 -0.021727 -1.479740
H 4.064397 -1.233074 0.606209
H 4.502733 -0.593916 2.215532
H 1.860417 2.922774 -1.222872
H 1.560539 2.700225 0.550340
H 7.635843 -0.043839 0.419382
H 6.630558 -1.495870 0.156571
H 6.874296 -0.844426 1.800628
H -0.636349 0.707523 -2.366187
H -2.048757 0.234501 2.090882
H -1.957018 -1.497065 -2.624870
H -3.745229 0.897441 -1.827881
H -0.385962 -1.412883 1.397579
H -4.257430 0.701562 3.121273
H -1.582924 -3.960265 -2.712085
H -5.956031 1.373431 -0.781330
H -0.025031 -3.864897 1.304542
H -6.213020 1.272724 1.692235
H -0.615036 -5.143180 -0.747503


%chk=000297051-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000297051

0 1
O 0.561883 1.362243 -0.900485
O -1.502479 0.348623 -2.032481
O -0.239845 1.210212 1.287270
N 5.538318 0.205505 0.515753
C 3.031728 1.285839 -0.596143
C 4.284309 2.170178 -0.362145
C 3.049711 0.091715 0.386624
C 5.570383 1.324704 -0.452807
C 4.376561 -0.685200 0.279969
C 1.764953 2.142379 -0.466087
C 6.812993 -0.536082 0.553024
C -1.477730 0.101196 -0.589431
C -0.353607 0.952903 0.072349
C -2.854966 0.522062 -0.027213
C -1.184664 -1.403412 -0.319310
C -3.215708 0.222712 1.309406
C -1.613679 -2.340802 -1.292108
C -3.764609 1.225390 -0.852287
C -0.552215 -1.869962 0.859987
C -4.470161 0.627031 1.814476
C -1.414595 -3.722991 -1.088343
C -5.022787 1.623089 -0.345692
C -0.350850 -3.255364 1.059078
C -5.380010 1.328029 0.989154
C -0.781485 -4.187139 0.088600
H 3.076903 0.890749 -1.633840
H 4.232850 2.628817 0.644833
H 4.329366 2.988862 -1.107476
H 2.208494 -0.596243 0.178912
H 2.932054 0.467627 1.421337
H 6.451153 1.955226 -0.228186
H 5.689331 0.950683 -1.506439
H 4.438390 -1.172628 -0.731026
H 4.399202 -1.494337 1.033632
H 1.789359 3.011103 -1.146278
H 1.599670 2.475559 0.574646
H 7.639301 0.154206 0.801329
H 7.062723 -1.039090 -0.416466
H 6.769289 -1.312312 1.337919
H -0.571003 0.547989 -2.314480
H -2.523369 -0.322182 1.957444
H -2.093936 -1.969296 -2.202058
H -3.477644 1.442961 -1.883807
H -0.215256 -1.161350 1.624661
H -4.737666 0.392523 2.850920
H -1.754048 -4.437693 -1.846734
H -5.721840 2.163151 -0.994504
H 0.141742 -3.603218 1.974151
H -6.355083 1.637905 1.382146
H -0.626327 -5.260470 0.245807


