%chk=000278407.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000278407

0 1
O 1.226476 -0.246425 1.633052
O 2.020679 2.605274 0.088779
O 1.267195 -2.167611 -1.146218
O 4.058586 2.808550 -1.598119
O 0.438364 -4.148407 0.987329
N -0.751241 0.866328 1.039398
N -2.949478 1.035311 1.725711
N -1.162300 -0.288985 -1.163547
N -3.544107 -0.637057 -1.614597
N -5.245649 -0.003999 -0.099068
C 2.467747 0.196865 -0.407857
C 2.196235 -0.829032 0.713952
C 1.435548 1.335670 -0.182684
C 0.714493 0.999510 1.151333
C 3.924673 0.672237 -0.394055
C 1.668418 -2.199794 0.220264
C 4.333355 1.393740 -1.680123
C 0.524113 -2.725698 1.105680
C -1.529052 0.284992 0.030425
C -1.683912 1.288116 2.057647
C -2.896530 0.413664 0.465948
C -3.916013 -0.072919 -0.404981
C -2.216816 -0.713234 -1.919969
H 2.255983 -0.285168 -1.401700
H 3.075543 -0.990168 1.379099
H 0.747500 1.437821 -1.050784
H 0.945759 1.751816 1.952044
H 4.595142 -0.197612 -0.238614
H 4.084354 1.342353 0.479605
H 2.507657 -2.940249 0.191857
H 5.406829 1.262015 -1.903511
H 3.737423 1.086647 -2.561639
H 0.717378 -2.565144 2.184444
H -0.444614 -2.267890 0.838241
H 2.515455 2.939596 -0.729341
H -1.340851 1.759413 2.969851
H 0.474604 -1.575534 -1.274600
H 4.626628 3.227000 -0.913951
H 0.281499 -4.396071 0.048626
H -1.971360 -1.175132 -2.893415
H -5.546970 0.394330 0.778329
H -5.942243 -0.362220 -0.734541


%chk=000278407-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000278407

0 1
O 0.845813 -0.552743 1.562360
O 2.398080 2.333341 1.105446
O 0.898230 -2.338511 -0.902784
O 3.677853 2.837748 -1.184325
O 1.293399 -4.649772 0.566653
N -0.904446 0.976573 1.054343
N -3.026663 1.862175 1.103527
N -1.286151 -0.792995 -0.688171
N -3.591157 -0.782165 -1.527733
N -5.223965 0.727982 -0.732626
C 2.215679 0.228547 -0.289141
C 2.067647 -0.894435 0.770074
C 1.506017 1.460476 0.352949
C 0.527950 0.853810 1.401904
C 3.692862 0.448177 -0.682991
C 1.881183 -2.303583 0.180507
C 3.936894 1.498415 -1.771746
C 1.498684 -3.364411 1.238218
C -1.649456 0.250400 0.118772
C -1.784984 1.920165 1.613649
C -2.954547 0.817465 0.165472
C -3.941218 0.260597 -0.699393
C -2.311252 -1.244143 -1.475916
H 1.638702 -0.080605 -1.182550
H 2.928914 -0.893296 1.470567
H 0.955441 2.039730 -0.414788
H 0.670243 1.399238 2.353614
H 4.095221 -0.511422 -1.062659
H 4.289088 0.717207 0.209467
H 2.840338 -2.611096 -0.283744
H 4.990386 1.449155 -2.112062
H 3.265754 1.331902 -2.639035
H 2.313955 -3.520116 1.966997
H 0.585080 -3.039767 1.776028
H 2.995834 2.766588 0.422047
H -1.457042 2.617197 2.382102
H 0.079586 -1.738462 -0.700669
H 3.821137 3.554227 -1.848036
H 0.793967 -4.423860 -0.266676
H -2.072288 -2.079757 -2.139801
H -5.500373 1.492157 -0.119130
H -5.893896 0.290764 -1.362419


