%chk=000219024.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000219024

0 1
O -3.884609 0.840806 0.267000
O -2.483345 2.542677 2.625775
O -2.057850 3.565077 0.372687
O -3.603479 0.676110 -2.741738
O 3.327033 3.024008 -0.427062
N -2.811961 -0.868682 1.480784
N -3.001355 -3.168233 1.574578
N -0.491952 -0.738992 0.531969
N 0.521539 -2.965829 0.197243
N 1.699044 -0.923007 -0.308605
N -0.615532 -4.971828 0.676937
N 2.635844 -1.508859 -1.132113
N 5.242176 1.963443 -1.072004
C -2.085608 1.549047 1.703327
C -3.259636 0.542136 1.516023
C -1.855401 2.150027 0.284535
C -3.010441 1.630601 -0.596307
C -2.561820 0.746859 -1.766107
C -1.608836 -1.391175 0.991724
C -3.630324 -2.014955 1.799845
C -1.735326 -2.823218 1.069571
C -0.621868 -3.609016 0.649134
C 0.518711 -1.599242 0.158045
C 2.022849 0.421331 -0.036797
C 3.214407 0.672491 -0.709490
C 3.559193 -0.558321 -1.383566
C 3.896388 1.978965 -0.717948
C 6.021200 3.216754 -1.119136
H -1.177194 1.098647 2.160098
H -4.067904 0.654202 2.280331
H -0.846743 1.922681 -0.114879
H -3.672889 2.461259 -0.944354
H -2.289097 -0.271726 -1.436320
H -1.721116 1.198571 -2.329852
H -2.979243 3.277066 2.156122
H -1.223309 4.012488 0.651405
H -4.635377 -1.893675 2.184440
H -4.392342 0.231128 -2.357227
H -1.428704 -5.479778 0.996483
H 0.191693 -5.492689 0.361817
H 1.422975 1.069260 0.585777
H 4.412015 -0.737470 -2.020815
H 5.743429 1.108705 -1.270006
H 5.374754 4.084104 -0.869730
H 6.431843 3.381557 -2.128836
H 6.848170 3.193296 -0.390657


%chk=000219024-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000219024

0 1
O -3.667775 0.649889 -0.068812
O -2.731297 2.484086 2.374351
O -1.221597 3.336029 0.337444
O -4.051341 1.502480 -2.789881
O 2.931539 2.924314 -0.379424
N -2.774279 -1.039731 1.393533
N -2.974700 -3.322380 1.633963
N -0.425796 -0.948631 0.596150
N 0.621156 -3.159713 0.452143
N 1.793717 -1.130843 -0.060571
N -0.537455 -5.144185 0.962414
N 2.897656 -1.774498 -0.644765
N 4.990340 2.098748 -1.110247
C -2.099047 1.404305 1.624671
C -3.202573 0.364890 1.306872
C -1.660956 1.940855 0.226198
C -2.958446 1.856642 -0.599919
C -2.767631 1.630666 -2.098515
C -1.544335 -1.590071 1.017333
C -3.592693 -2.134928 1.744319
C -1.683402 -2.993034 1.177942
C -0.535298 -3.783197 0.863166
C 0.602840 -1.809643 0.347331
C 1.961056 0.239435 0.009461
C 3.206870 0.534881 -0.544920
C 3.745446 -0.747935 -0.930395
C 3.688634 1.935680 -0.666651
C 5.596730 3.421063 -1.296845
H -1.258030 0.968718 2.194271
H -4.046423 0.498321 2.006291
H -0.881182 1.285036 -0.196065
H -3.586985 2.748134 -0.413422
H -2.133842 0.731330 -2.256762
H -2.273886 2.508652 -2.548189
H -2.286783 3.326013 2.070603
H -0.239064 3.402077 0.228031
H -4.622248 -1.994175 2.067245
H -4.563642 0.785232 -2.334986
H -1.379065 -5.629151 1.267685
H 0.308678 -5.658761 0.724814
H 1.220047 0.894924 0.447504
H 4.692557 -0.987939 -1.414096
H 5.553896 1.268574 -1.296887
H 4.835193 4.173408 -1.037703
H 5.910390 3.573531 -2.346063
H 6.473028 3.557505 -0.636515


