%chk=000114378.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000114378

0 1
O -0.395992 0.763813 1.186895
N 4.556488 1.481313 0.045745
C -0.268714 0.107251 -0.118069
C -1.751520 1.295868 1.407396
C -1.616175 0.337465 -0.785423
C -2.473675 1.026703 0.099815
C 0.876133 0.829672 -0.851811
C 0.021009 -1.364438 0.126189
C 2.193836 0.740416 -0.075701
C -1.567083 2.779408 1.700156
C -2.340460 0.516685 2.577473
C -2.045734 -0.012923 -2.056152
C -3.765235 1.362210 -0.273829
C 3.314465 1.505843 -0.797913
C 0.129649 -2.253222 -0.952972
C 0.201316 -1.836931 1.433291
C -3.355715 0.326966 -2.439121
C -4.203548 1.003330 -1.561151
C 0.405706 -3.603820 -0.722677
C 0.477783 -3.187518 1.660156
C 0.579028 -4.073738 0.583130
C 5.519030 2.524863 -0.421254
C 5.205242 0.136544 0.012857
H 0.991033 0.405623 -1.866421
H 0.592196 1.893455 -0.984098
H 2.052114 1.152537 0.947511
H 2.481168 -0.318938 0.073575
H -0.847789 2.923239 2.517870
H -1.157389 3.306270 0.829214
H -2.507632 3.260911 1.981415
H -2.427746 -0.550909 2.335052
H -1.691841 0.591112 3.459371
H -3.333637 0.883507 2.852240
H -1.392182 -0.542673 -2.745497
H -4.427031 1.890450 0.407889
H 3.472014 1.090962 -1.815566
H 3.006307 2.566230 -0.930292
H -0.002226 -1.896606 -1.972582
H 0.127650 -1.133804 2.267901
H -3.708342 0.056119 -3.433020
H -5.215481 1.257986 -1.871837
H 0.485742 -4.290972 -1.562558
H 0.616135 -3.548537 2.677513
H 0.793002 -5.125441 0.760139
H 5.053576 3.516701 -0.305627
H 5.855747 2.415771 -1.461873
H 6.406247 2.510310 0.231861
H 4.489704 -0.615731 0.385407
H 6.061523 0.137251 0.705475
H 5.558205 -0.184983 -0.977191


%chk=000114378-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000114378

0 1
O -0.430573 0.616464 1.338535
N 4.595235 1.619670 -0.031712
C -0.268076 0.011669 -0.019811
C -1.746085 1.336174 1.477273
C -1.621945 0.274914 -0.689114
C -2.447662 1.044512 0.158368
C 0.876530 0.776452 -0.751065
C 0.036840 -1.492187 0.132701
C 2.232617 0.710697 -0.018782
C -1.449118 2.838142 1.682844
C -2.478662 0.734295 2.695073
C -2.074313 -0.116770 -1.964811
C -3.736092 1.438973 -0.253359
C 3.310774 1.520060 -0.766722
C 0.441681 -2.265657 -0.986810
C -0.099156 -2.135726 1.386534
C -3.367023 0.276580 -2.384698
C -4.194130 1.050882 -1.534847
C 0.689379 -3.649952 -0.858223
C 0.151304 -3.520309 1.517910
C 0.542198 -4.285931 0.396112
C 5.494715 2.620810 -0.640018
C 5.271772 0.318515 0.142058
H 0.977756 0.377101 -1.781129
H 0.554593 1.831418 -0.852983
H 2.117245 1.117472 1.001897
H 2.539687 -0.347187 0.080595
H -0.823179 2.975466 2.581763
H -0.908693 3.250708 0.813903
H -2.386581 3.409505 1.816414
H -2.684572 -0.337337 2.533060
H -1.854058 0.844315 3.599136
H -3.439244 1.253282 2.870429
H -1.447131 -0.727375 -2.623031
H -4.378149 2.034999 0.405677
H 3.458870 1.080170 -1.792043
H 2.937737 2.553103 -0.916155
H 0.579031 -1.792299 -1.965995
H -0.383019 -1.531095 2.252062
H -3.732816 -0.023386 -3.373014
H -5.193869 1.347374 -1.871353
H 0.999895 -4.230033 -1.734900
H 0.044717 -3.999933 2.497866
H 0.735563 -5.359805 0.497757
H 4.988171 3.602068 -0.678373
H 5.817505 2.358109 -1.681437
H 6.403838 2.729390 -0.021262
H 4.636351 -0.371617 0.721199
H 6.209870 0.465931 0.706750
H 5.527174 -0.177019 -0.831367


