%chk=000208656.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000208656

0 1
O 1.235727 -0.279451 0.454739
O -1.400325 -1.225995 -0.910137
N 3.022538 2.882779 0.208348
C 0.055176 -0.861364 1.049509
C 2.630359 1.487464 -0.161230
C 1.356268 1.159626 0.633763
C -1.164658 -0.476378 0.264998
C 4.052926 2.880992 1.300819
C 3.477857 3.673134 -0.982323
C 0.303931 -2.355259 1.046767
C -2.114649 0.488345 0.458105
C -3.044521 0.387979 -0.647206
C -2.565089 -0.678397 -1.461353
C 4.068185 4.238632 2.004941
C 2.282169 4.015001 -1.872211
C -0.336390 -3.158838 2.001071
C 1.166206 -2.931088 0.104782
C -4.207516 1.062092 -1.039273
C -3.186117 -1.101100 -2.637042
C -0.109494 -4.537635 2.008988
C 1.392439 -4.310265 0.121814
C -4.840925 0.654309 -2.210723
C -4.339669 -0.408268 -2.995670
C 0.755262 -5.114083 1.072196
H -0.043826 -0.475049 2.096154
H 3.409927 0.723957 0.051434
H 2.415580 1.398668 -1.248257
H 0.467594 1.665379 0.222159
H 1.454387 1.380796 1.709049
H 3.779071 2.092911 2.038020
H 5.070648 2.628946 0.932074
H 3.937331 4.617753 -0.611630
H 4.260200 3.149913 -1.573192
H -2.189379 1.196301 1.259643
H 4.456636 5.033029 1.357590
H 3.052942 4.537327 2.300174
H 4.686884 4.206505 2.907230
H 1.854298 3.125192 -2.348475
H 1.477592 4.478009 -1.284646
H 2.567907 4.714949 -2.663487
H -1.012781 -2.717372 2.730052
H 1.655734 -2.292009 -0.633580
H -4.599081 1.880550 -0.440408
H -2.786810 -1.919894 -3.227165
H -0.608120 -5.164082 2.746270
H 2.063746 -4.757779 -0.608845
H -5.746949 1.162670 -2.536857
H -4.872803 -0.689142 -3.903753
H 0.930281 -6.188059 1.082574


%chk=000208656-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000208656

0 1
O 1.406311 -0.420708 0.371003
O -1.277148 -1.065002 -1.026226
N 3.072065 2.915865 0.099750
C 0.196468 -0.994592 0.989394
C 2.818724 1.473661 -0.147708
C 1.513990 1.039105 0.535463
C -1.061015 -0.554650 0.284562
C 3.865315 3.154630 1.335101
C 3.583019 3.648613 -1.087523
C 0.358757 -2.515470 1.015880
C -2.090095 0.290699 0.657927
C -3.032494 0.343215 -0.447957
C -2.492498 -0.502393 -1.463408
C 3.602583 4.535275 1.966942
C 2.497477 3.883589 -2.155021
C -0.431891 -3.281547 1.906465
C 1.272051 -3.168855 0.156586
C -4.261145 1.006852 -0.695630
C -3.103871 -0.725049 -2.705130
C -0.313290 -4.688404 1.939093
C 1.392196 -4.576633 0.191249
C -4.895872 0.798830 -1.938217
C -4.327709 -0.054131 -2.928561
C 0.601107 -5.341107 1.079797
H 0.107905 -0.616912 2.033572
H 3.651871 0.827399 0.212753
H 2.721455 1.289951 -1.232154
H 0.653597 1.559255 0.069914
H 1.531887 1.293589 1.618812
H 3.585176 2.374287 2.067787
H 4.961954 3.027188 1.146488
H 3.953092 4.631189 -0.741982
H 4.459358 3.125050 -1.548293
H -2.166531 0.812826 1.610360
H 3.885568 5.360807 1.289164
H 2.530310 4.645625 2.205607
H 4.189079 4.651790 2.897598
H 2.089394 2.932203 -2.542154
H 1.660868 4.461320 -1.724961
H 2.913190 4.443521 -3.013691
H -1.146274 -2.780511 2.572312
H 1.883086 -2.566552 -0.520605
H -4.708068 1.665257 0.056665
H -2.655359 -1.383498 -3.453983
H -0.928502 -5.272195 2.633101
H 2.103402 -5.077037 -0.475894
H -5.845828 1.301141 -2.151219
H -4.849480 -0.193160 -3.881520
H 0.696518 -6.432624 1.104292


