%chk=000185424.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000185424

1 1
O 3.235766 -2.816947 -0.676667
O 1.390042 -1.693963 -0.521335
N -0.848501 0.414078 0.602458
N 2.782140 0.739692 -0.270174
N 5.033702 0.947597 -0.029339
N 2.626661 -1.783955 -0.533940
C -5.051697 -0.346068 -0.236734
C -3.564058 -0.082256 0.032557
C -5.696802 -0.600388 1.135665
C -5.235997 -1.569095 -1.144610
C -5.689599 0.875941 -0.913295
C 0.592423 0.681806 0.887382
C 1.350819 1.035140 -0.416310
C -2.599489 -1.101938 -0.037022
C -3.110598 1.201877 0.412427
C -1.258481 -0.852057 0.241592
C -1.772520 1.440912 0.687481
C 3.847211 1.633065 -0.077449
C 3.357660 -0.563382 -0.343357
C 4.753975 -0.387666 -0.196087
C 3.703989 3.092612 0.039211
H -6.773910 -0.800714 1.025787
H -5.272921 -1.474180 1.644079
H -5.610766 0.258059 1.810593
H -4.893421 -2.502288 -0.682814
H -6.301427 -1.725970 -1.375854
H -4.728712 -1.454791 -2.109797
H -6.741915 0.673576 -1.168463
H -5.705212 1.763947 -0.272133
H -5.192473 1.138076 -1.854377
H 1.047580 -0.233355 1.357019
H 0.693227 1.492776 1.645273
H 0.944233 0.433379 -1.275817
H 1.215806 2.110194 -0.679470
H -2.892164 -2.126568 -0.316138
H -3.828436 2.031602 0.494294
H -0.494883 -1.660961 0.176282
H -1.417652 2.440172 0.983066
H 5.522808 -1.156716 -0.202759
H 3.372319 3.561444 -0.902890
H 3.026935 3.403045 0.847332
H 4.690539 3.557870 0.268333


%chk=000185424-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000185424

1 1
O 3.660583 -2.793309 -0.914643
O 1.587696 -1.844487 -0.677633
N -0.838140 0.300268 0.610849
N 2.822376 0.708379 -0.274336
N 5.050493 1.117549 -0.022317
N 2.903373 -1.779737 -0.693863
C -5.085979 -0.314857 -0.222838
C -3.590926 -0.115906 0.052149
C -5.856807 -0.201208 1.133362
C -5.390312 -1.694052 -0.858199
C -5.571719 0.810455 -1.192715
C 0.618608 0.511382 0.889296
C 1.376818 0.954530 -0.397621
C -2.607635 -1.106070 -0.227985
C -3.112170 1.102383 0.623886
C -1.253689 -0.887944 0.049093
C -1.756667 1.289041 0.892932
C 3.805959 1.673138 -0.028084
C 3.515497 -0.518457 -0.439169
C 4.881511 -0.230181 -0.280778
C 3.534507 3.128995 0.177362
H -6.936739 -0.329817 0.943902
H -5.540156 -0.985608 1.843832
H -5.719263 0.782685 1.616273
H -5.106236 -2.531424 -0.194492
H -6.475364 -1.778090 -1.038540
H -4.887932 -1.824755 -1.834543
H -6.653919 0.686822 -1.371877
H -5.418368 1.822084 -0.776474
H -5.056126 0.752946 -2.168042
H 1.031289 -0.445124 1.242306
H 0.713229 1.259962 1.692993
H 0.990869 0.388544 -1.259159
H 1.230107 2.030667 -0.587383
H -2.887901 -2.066057 -0.664753
H -3.798700 1.915951 0.869921
H -0.473186 -1.624033 -0.162503
H -1.367983 2.206162 1.341115
H 5.715640 -0.925488 -0.333803
H 3.127957 3.611666 -0.731294
H 2.834620 3.319412 1.011822
H 4.490985 3.617188 0.415950


