%chk=000216982.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000216982

0 1
O -3.032838 1.746280 -0.221157
N -1.232325 0.399863 -0.746900
N -3.357293 -0.562910 -0.287180
C 2.371032 0.534234 0.295928
C 4.686708 -0.558702 0.065293
C 3.330703 -0.561166 0.799794
C 1.179187 0.686677 1.263426
C 1.862011 0.220233 -1.125045
C 5.466441 -1.852246 0.383579
C 5.529444 0.674221 0.451171
C -0.280980 1.550895 -0.657973
C 0.213369 1.774906 0.785903
C 0.890865 1.294707 -1.625424
C 6.823874 -1.867965 -0.332919
C 6.885342 0.663398 -0.267247
C 7.658959 -0.630252 0.024153
C -2.579626 0.625502 -0.384565
C -4.764896 -0.602592 -0.033743
C -5.386453 -1.869492 -0.079621
C -5.514887 0.546187 0.272919
C -6.752260 -1.969719 0.187635
C -6.878866 0.419771 0.535286
C -7.503541 -0.831579 0.495730
H 2.923349 1.506638 0.265368
H 4.498512 -0.526163 -1.036335
H 2.852753 -1.553149 0.693141
H 3.500762 -0.434489 1.886316
H 1.545962 0.938602 2.276872
H 0.647272 -0.276338 1.369651
H 2.722116 0.144701 -1.819625
H 1.377774 -0.773131 -1.145312
H 4.875085 -2.736145 0.083538
H 5.619746 -1.940492 1.475509
H 5.686402 0.695764 1.545887
H 4.977551 1.600139 0.203168
H -0.845090 2.467678 -0.990701
H 0.707869 2.764886 0.839822
H -0.654810 1.843249 1.471298
H 0.499606 1.013967 -2.623434
H 1.433669 2.249473 -1.773465
H 7.378580 -2.786434 -0.065469
H 6.669323 -1.911259 -1.428039
H 6.733556 0.771073 -1.358222
H 7.483589 1.538936 0.046271
H 8.608471 -0.638780 -0.541920
H 7.938578 -0.664696 1.094524
H -0.809634 -0.514004 -0.603187
H -2.930027 -1.454464 -0.540939
H -4.817621 -2.762905 -0.318534
H -5.035934 1.531103 0.301393
H -7.234872 -2.946049 0.154100
H -7.461654 1.310033 0.772984
H -8.566855 -0.917893 0.702097


%chk=000216982-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000216982

0 1
O -3.043189 1.889611 0.092001
N -1.236801 0.633775 -0.681007
N -3.328923 -0.398799 -0.451970
C 2.361764 0.683847 0.356964
C 4.625836 -0.642284 0.100803
C 3.294152 -0.441943 0.872559
C 1.158710 0.892337 1.314816
C 1.847411 0.419175 -1.082374
C 5.390294 -1.879801 0.643609
C 5.538199 0.610986 0.161096
C -0.296578 1.776281 -0.611617
C 0.215872 2.017501 0.834406
C 0.890579 1.534298 -1.574348
C 6.733946 -2.107395 -0.088955
C 6.884727 0.391120 -0.569347
C 7.630065 -0.848418 -0.020624
C -2.571780 0.782982 -0.314139
C -4.695793 -0.605821 -0.122154
C -5.230623 -1.904482 -0.351442
C -5.533038 0.408127 0.418806
C -6.576645 -2.188447 -0.045385
C -6.878170 0.105012 0.721183
C -7.413085 -1.184172 0.495499
H 2.932130 1.638255 0.337626
H 4.394539 -0.843120 -0.968874
H 2.727794 -1.399000 0.863521
H 3.537182 -0.238234 1.937772
H 1.529274 1.124370 2.332724
H 0.589432 -0.057957 1.399875
H 2.695572 0.337494 -1.788350
H 1.342023 -0.572772 -1.102120
H 4.750563 -2.781213 0.556762
H 5.586586 -1.732211 1.727426
H 5.734734 0.855037 1.227253
H 5.020968 1.487464 -0.275031
H -0.868712 2.666102 -0.932334
H 0.756607 2.986136 0.850110
H -0.654258 2.122909 1.507027
H 0.511345 1.306707 -2.589529
H 1.461351 2.480755 -1.648776
H 7.261620 -2.978450 0.346469
H 6.533476 -2.353537 -1.152727
H 6.691942 0.247242 -1.653241
H 7.519486 1.293877 -0.475284
H 8.568972 -1.013727 -0.584225
H 7.916984 -0.662879 1.035533
H -0.857540 -0.281834 -0.925989
H -2.855321 -1.212632 -0.849767
H -4.589702 -2.692866 -0.769372
H -5.121257 1.404618 0.587257
H -6.970249 -3.194544 -0.229248
H -7.515278 0.893462 1.138344
H -8.459193 -1.402838 0.734589


