%chk=000280880.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000280880

0 1
O 5.313648 2.384481 0.302321
N 0.222425 -1.663923 0.020263
N -1.096493 -2.019013 0.003638
C 0.377703 -0.262321 0.010064
C -0.920953 0.273213 -0.032622
C -1.816129 -0.858645 -0.032252
C 1.661771 0.428805 0.051896
C -1.285504 1.684548 -0.081471
C 1.241046 -2.687038 0.041244
C -3.281766 -0.861146 -0.049602
C 2.586779 0.163617 1.083935
C 1.962426 1.390147 -0.925006
C -0.691637 2.601954 0.802817
C -2.229793 2.138004 -1.019693
C 1.028241 -3.853363 0.796842
C 2.420498 -2.510605 -0.701579
C -3.974893 -1.800186 -0.832055
C -3.997726 0.067479 0.724629
C 3.797727 0.838785 1.132674
C 3.176736 2.080236 -0.895946
C 4.082327 1.796579 0.134148
C -1.040516 3.953190 0.747190
C -2.572499 3.490580 -1.068974
C 2.017398 -4.838461 0.815368
C 3.399581 -3.505590 -0.662955
C -5.371883 -1.800828 -0.844716
C -5.394056 0.059279 0.706246
C -1.979808 4.400709 -0.187263
C 3.202943 -4.666010 0.093038
C -6.082879 -0.872000 -0.078291
C 5.717039 3.401032 -0.647756
H 2.345278 -0.577887 1.847910
H 1.236237 1.605168 -1.712598
H 0.041196 2.254608 1.530060
H -2.695955 1.428449 -1.702914
H 0.095463 -3.988444 1.349014
H 2.572383 -1.613057 -1.301979
H -3.418233 -2.529900 -1.420975
H -3.461170 0.793115 1.336679
H 4.527083 0.651779 1.918028
H 3.394661 2.820949 -1.657901
H -0.579204 4.659302 1.435401
H -3.305066 3.836614 -1.796223
H 1.860912 -5.746763 1.397322
H 4.320559 -3.375087 -1.231081
H -5.906781 -2.528997 -1.451769
H -5.946787 0.780106 1.306177
H -2.250091 5.453289 -0.227629
H 3.971071 -5.437216 0.115869
H -7.170796 -0.874950 -0.090110
H 5.791874 2.974379 -1.651899
H 6.706957 3.683433 -0.265239
H 5.027256 4.249199 -0.612970


%chk=000280880-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000280880

0 1
O 5.414081 2.467640 0.370743
N 0.224087 -1.629025 0.020195
N -1.119736 -2.001791 0.013686
C 0.383194 -0.236021 0.000066
C -0.921787 0.307929 -0.050126
C -1.818997 -0.825331 -0.032137
C 1.687000 0.459780 0.065490
C -1.258614 1.752519 -0.111362
C 1.205005 -2.679892 -0.000083
C -3.298294 -0.886075 -0.017128
C 2.629959 0.168776 1.093459
C 2.013081 1.464284 -0.879382
C -0.722801 2.669970 0.833368
C -2.120323 2.252729 -1.126337
C 0.912347 -3.887064 0.680611
C 2.416592 -2.539751 -0.719472
C -3.954197 -2.030637 -0.550607
C -4.088744 0.146156 0.557061
C 3.855265 0.850046 1.164830
C 3.239691 2.160924 -0.819034
C 4.166563 1.850139 0.207218
C -1.038117 4.044693 0.765686
C -2.437975 3.626610 -1.192653
C 1.846927 -4.942961 0.659469
C 3.347398 -3.600976 -0.725366
C -5.360143 -2.133109 -0.522566
C -5.496431 0.041899 0.581795
C -1.897626 4.530205 -0.247264
C 3.071434 -4.804021 -0.035918
C -6.140025 -1.094960 0.040685
C 5.782705 3.518406 -0.582096
H 2.395791 -0.594920 1.842610
H 1.297545 1.705055 -1.672548
H -0.063358 2.298586 1.625305
H -2.540955 1.557684 -1.861397
H -0.043691 -3.981780 1.201867
H 2.626517 -1.622261 -1.275060
H -3.344596 -2.831759 -0.980707
H -3.604588 1.023853 0.995175
H 4.583180 0.631698 1.951710
H 3.456456 2.930655 -1.565233
H -0.617604 4.734435 1.506326
H -3.105101 3.991391 -1.981952
H 1.618293 -5.874713 1.188371
H 4.284334 -3.488239 -1.281608
H -5.848568 -3.020641 -0.940804
H -6.089473 0.846499 1.031089
H -2.144982 5.596567 -0.298278
H 3.796456 -5.624966 -0.046984
H -7.232953 -1.172840 0.060431
H 5.833578 3.124532 -1.615764
H 6.779930 3.856090 -0.264480
H 5.070873 4.365580 -0.541596


