%chk=000217794.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000217794

0 1
O 4.771361 2.364781 1.025935
O 0.088662 3.353505 -0.149271
O -1.987914 -0.978597 0.987478
N 3.249450 0.621305 0.736529
N -1.059433 1.437108 0.442990
N -3.455584 -1.886800 -0.503155
C 1.203818 1.783494 1.326196
C 1.769054 0.436226 0.806279
C 2.385110 2.764120 1.326069
C 3.632569 1.956781 1.022346
C 0.054495 2.301445 0.454843
C 4.106231 -0.466294 0.379895
C -3.219557 -3.320716 -0.089247
C -2.275125 1.640123 -0.267045
C 5.503741 -0.281073 0.336671
C 3.556075 -1.727890 0.074529
C -3.185353 0.557288 -0.399862
C -4.122706 -4.196455 -0.976004
C -1.742251 -3.669816 -0.317842
C -3.597697 -3.482240 1.388982
C -2.830085 -0.804689 0.096895
C -2.599503 2.901186 -0.816130
C 6.329627 -1.349273 -0.006500
C 4.404835 -2.784194 -0.266043
C -4.435125 0.802122 -0.999309
C 5.788906 -2.604616 -0.308672
C -3.827301 3.098882 -1.431306
C -4.760470 2.052266 -1.510963
H 0.825888 1.657107 2.371733
H 1.372838 0.177241 -0.200957
H 1.514336 -0.396323 1.497691
H 2.259582 3.566678 0.558991
H 2.493280 3.298707 2.288259
H -1.012128 0.542060 0.995292
H 5.943399 0.695170 0.568385
H 2.485095 -1.902079 0.095823
H -4.102811 -1.737042 -1.273759
H -5.185524 -3.967794 -0.842659
H -3.994786 -5.256171 -0.720592
H -3.882601 -4.099266 -2.040409
H -1.531553 -4.708841 -0.047255
H -1.440785 -3.527580 -1.360116
H -1.092224 -3.031420 0.301425
H -2.973605 -2.833272 2.025675
H -3.447747 -4.511008 1.729820
H -4.641035 -3.214613 1.581461
H -1.877543 3.725201 -0.752277
H 7.409475 -1.201349 -0.039027
H 3.976356 -3.758215 -0.500903
H -5.172212 -0.001089 -1.058616
H 6.441950 -3.431359 -0.574670
H -4.073397 4.077058 -1.848916
H -5.730979 2.223820 -1.971185


%chk=000217794-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000217794

0 1
O 4.070885 1.131669 2.893303
O 0.598641 2.313342 -0.971546
O -2.246276 -1.310710 0.827198
N 3.786370 0.371922 0.647236
N -0.955235 0.720809 -0.183090
N -4.319061 -1.829956 -0.082744
C 1.393095 0.516496 0.484709
C 2.687490 0.320745 -0.351382
C 1.886729 1.314627 1.720960
C 3.365274 0.935818 1.865964
C 0.313359 1.270033 -0.303887
C 5.115649 -0.015233 0.297714
C -4.453169 -3.204089 0.508006
C -2.176690 1.195101 -0.714242
C 6.148032 -0.099971 1.275470
C 5.418593 -0.329431 -1.057190
C -3.357831 0.388076 -0.537459
C -5.817516 -3.749031 0.019230
C -3.303307 -4.112990 -0.001151
C -4.439070 -3.115411 2.055600
C -3.271055 -0.964834 0.119525
C -2.270700 2.438097 -1.401423
C 7.444691 -0.498379 0.891302
C 6.721360 -0.728111 -1.422929
C -4.601498 0.904527 -0.992365
C 7.744506 -0.818555 -0.453265
C -3.515421 2.899917 -1.865898
C -4.692630 2.144847 -1.650715
H 1.018048 -0.468731 0.816458
H 2.788642 1.137841 -1.091261
H 2.690219 -0.649162 -0.878106
H 1.824530 2.404349 1.537721
H 1.338140 1.089402 2.648480
H -1.091735 -0.143988 0.392251
H 5.925334 0.156977 2.312380
H 4.651452 -0.250619 -1.832944
H -5.044237 -1.553401 -0.746208
H -6.652964 -3.114354 0.370208
H -5.976546 -4.765642 0.416774
H -5.853849 -3.811157 -1.085419
H -3.415587 -5.128615 0.419538
H -3.322749 -4.189035 -1.103670
H -2.327535 -3.707173 0.309904
H -3.482840 -2.699879 2.410771
H -4.569042 -4.124579 2.486387
H -5.262299 -2.473561 2.418073
H -1.358343 3.018254 -1.550763
H 8.227661 -0.558340 1.655784
H 6.934426 -0.963401 -2.471846
H -5.528326 0.352050 -0.797057
H 8.755257 -1.128134 -0.739763
H -3.568609 3.863308 -2.384575
H -5.665159 2.521864 -1.982545


