%chk=000183277.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000183277

0 1
O -0.387591 4.002514 -0.752961
N 3.045029 -0.095111 0.684310
N -1.107130 -1.449851 -1.167707
N 0.344556 -3.137842 -0.294573
N -3.811724 -0.106145 -0.179000
C 1.009587 -0.805177 -0.137828
C 2.275112 -1.224922 0.394078
C 1.009851 0.637422 -0.164684
C 2.285108 1.063153 0.349239
C 0.068663 -1.806261 -0.505212
C 2.577090 -2.594552 0.573753
C -2.255366 -2.384779 -1.221679
C -3.037569 -2.475155 0.102456
C 0.062906 1.589304 -0.554042
C 2.621438 2.416378 0.468538
C -3.295610 -1.125231 0.788927
C 1.562505 -3.487328 0.213152
C 0.420661 2.932456 -0.425064
C 3.887288 -3.046487 1.117092
C 1.678474 3.356995 0.076562
C -4.277718 1.131364 0.525435
C -5.071046 2.014793 -0.435662
C -1.678794 3.713651 -1.340494
H 3.974386 -0.089446 1.053818
H -2.919218 -2.027587 -2.041115
H -1.891382 -3.400590 -1.507796
H -2.469921 -3.120122 0.807945
H -3.992601 -3.001127 -0.084751
H -1.392552 -0.463621 -1.075616
H -0.904829 1.276807 -0.936798
H 3.589337 2.724208 0.855333
H -2.343271 -0.729248 1.212047
H -3.975137 -1.285699 1.655468
H 1.704088 -4.569575 0.332847
H 3.950182 -4.141309 1.185875
H 4.719563 -2.721057 0.477236
H 4.059950 -2.653664 2.128624
H 1.880856 4.423644 0.143659
H -4.584021 -0.508170 -0.721799
H -4.889329 0.914601 1.429423
H -3.369202 1.669063 0.881567
H -4.526567 2.176731 -1.375173
H -6.039564 1.572481 -0.696244
H -5.269212 2.997467 0.007420
H -2.085756 4.720523 -1.495259
H -2.296974 3.139794 -0.642435
H -1.552547 3.189505 -2.292613


%chk=000183277-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000183277

0 1
O -0.245425 4.163288 -0.816634
N 3.117849 -0.076319 0.614146
N -1.203230 -1.417733 -0.854276
N 0.337737 -3.084135 -0.223814
N -4.006024 -0.248922 -0.130816
C 1.038224 -0.749892 -0.088262
C 2.313962 -1.197256 0.384512
C 1.085221 0.705568 -0.148654
C 2.397114 1.091556 0.297890
C 0.054597 -1.753178 -0.383127
C 2.631449 -2.571035 0.555266
C -2.264959 -2.397524 -1.100751
C -3.191630 -2.612852 0.127925
C 0.162068 1.715761 -0.534964
C 2.798409 2.440955 0.367645
C -3.580782 -1.296113 0.834875
C 1.580294 -3.449809 0.220711
C 0.570263 3.067277 -0.462792
C 3.979449 -3.046401 1.053394
C 1.873288 3.428951 -0.015828
C -4.483668 1.003973 0.503224
C -5.022045 1.986116 -0.551303
C -1.601024 3.867885 -1.273603
H 4.077861 -0.103001 0.948438
H -2.860893 -2.037493 -1.959535
H -1.789975 -3.352899 -1.375700
H -2.682044 -3.263933 0.862418
H -4.101182 -3.152335 -0.208985
H -1.516014 -0.446982 -0.817116
H -0.839117 1.461997 -0.893355
H 3.800092 2.724751 0.707932
H -2.702997 -0.904273 1.384875
H -4.365187 -1.510127 1.602439
H 1.735585 -4.532317 0.319349
H 4.005589 -4.148418 1.111922
H 4.805236 -2.733985 0.382719
H 4.209307 -2.658280 2.066223
H 2.130275 4.491665 0.017110
H -4.717469 -0.617128 -0.781658
H -5.275645 0.813429 1.270203
H -3.629695 1.459399 1.043793
H -4.251036 2.200937 -1.312974
H -5.904299 1.566523 -1.071862
H -5.330582 2.937641 -0.082375
H -2.054579 4.846690 -1.490018
H -2.188219 3.350860 -0.488509
H -1.594146 3.249916 -2.193799


