%chk=000199373.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000199373

0 1
O 6.608415 -0.523439 -0.452357
N 1.147473 1.094880 -0.020920
N 4.404587 -0.723474 0.097968
N -4.731133 1.549056 0.642627
C 4.035749 0.615040 -0.438347
C 3.491843 1.518234 0.685516
C 2.994010 0.478471 -1.565530
C 2.084704 1.115831 1.150029
C 1.599555 0.099700 -1.047158
C -0.254450 0.807616 0.428966
C -1.239614 1.317747 -0.642866
C -2.642095 1.139897 -0.190817
C -3.385458 -0.099753 -0.207906
C 5.717990 -1.195813 0.041260
C -3.477315 2.118601 0.327051
C -4.691374 0.184877 0.319057
C -3.084880 -1.413010 -0.614455
C 5.930666 -2.566501 0.625118
C -5.680408 -0.813181 0.444191
C -4.057797 -2.389731 -0.490239
C -5.343144 -2.090457 0.034992
H 4.973406 1.079529 -0.859750
H 3.464582 2.562057 0.308525
H 4.184961 1.519946 1.547382
H 3.330792 -0.263111 -2.313684
H 2.931506 1.449683 -2.099528
H 2.121760 0.147818 1.693280
H 1.709360 1.875492 1.871496
H 0.874341 0.130095 -1.891331
H 1.601007 -0.943943 -0.666571
H -0.441306 -0.267194 0.637107
H -0.448519 1.350134 1.380256
H -1.076628 0.784105 -1.602657
H -1.020819 2.384329 -0.864362
H 3.659028 -1.272160 0.506225
H -3.279198 3.162359 0.491501
H -5.513725 2.041750 1.022049
H -2.101876 -1.640556 -1.019533
H 6.993163 -2.847343 0.532612
H 5.679675 -2.610103 1.691897
H 5.349374 -3.337320 0.104610
H -6.660836 -0.580390 0.844061
H -3.848684 -3.411511 -0.798811
H -6.073386 -2.895261 0.111445


%chk=000199373-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000199373

0 1
O 6.659909 -0.657559 -0.423606
N 1.182675 1.157654 -0.016426
N 4.381626 -0.741613 0.065832
N -4.810811 1.505373 0.576892
C 4.075457 0.613426 -0.441864
C 3.549068 1.538817 0.685562
C 3.033575 0.568706 -1.588531
C 2.125024 1.147663 1.130986
C 1.623910 0.213017 -1.071698
C -0.221752 0.929910 0.407360
C -1.256051 1.434150 -0.635589
C -2.680820 1.184615 -0.204708
C -3.369923 -0.097583 -0.178533
C 5.659516 -1.284968 0.040261
C -3.593481 2.131275 0.260428
C -4.703775 0.134817 0.314782
C -2.993797 -1.420004 -0.538198
C 5.762453 -2.697755 0.620502
C -5.650632 -0.903724 0.458524
C -3.933527 -2.459770 -0.400464
C -5.247552 -2.204757 0.094836
H 5.038643 0.996079 -0.822550
H 3.522007 2.576351 0.302203
H 4.239612 1.509966 1.548572
H 3.352152 -0.160283 -2.356414
H 2.990353 1.567761 -2.061685
H 2.146796 0.140266 1.633178
H 1.761543 1.867775 1.886997
H 0.908841 0.249625 -1.911913
H 1.612027 -0.846576 -0.688644
H -0.415008 -0.150022 0.632426
H -0.388450 1.483357 1.350441
H -1.073618 0.937120 -1.608786
H -1.077819 2.513152 -0.795088
H 3.618008 -1.297561 0.455808
H -3.466559 3.205686 0.383762
H -5.642287 1.976478 0.925403
H -1.988653 -1.628541 -0.923137
H 6.806987 -3.033668 0.548441
H 5.454626 -2.716969 1.682432
H 5.120955 -3.406597 0.064833
H -6.662122 -0.713349 0.835128
H -3.657851 -3.483604 -0.677207
H -5.955973 -3.035139 0.191852


