%chk=000182797.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000182797

0 1
O -10.870752 -0.432042 0.030941
N -7.183685 -0.073344 0.285734
N -4.301089 -0.033761 0.022027
N 1.353553 -0.476446 -0.057821
N 4.068347 2.755679 -0.537531
C -6.512184 -0.562334 -0.962644
C -6.366363 1.024971 0.896931
C -5.119071 -1.118598 -0.605170
C -4.970588 0.478312 1.258891
C -8.581679 0.379875 0.007497
C -2.891138 -0.209698 0.062099
C -9.504842 -0.841668 0.174521
C -2.240583 -1.057367 -0.866759
C -2.095422 0.560194 0.945848
C -0.078705 -0.351794 -0.034673
C -0.852308 -1.120685 -0.921137
C -0.708516 0.489219 0.899893
C 2.228360 0.595714 -0.229911
C 3.667894 0.329263 -0.155946
C 4.549542 1.455080 -0.319345
C 5.610914 -1.124551 0.125074
C 4.221698 -0.936651 0.065714
C 6.484466 -0.000607 -0.042773
C 5.942002 1.270739 -0.261321
C 1.794863 1.889940 -0.458318
C 6.189907 -2.428670 0.353207
C 7.913382 -0.216512 0.020671
C 2.757045 2.935819 -0.600271
C 7.541596 -2.590347 0.406630
C 8.419106 -1.462483 0.236710
H -6.411943 0.227667 -1.739547
H -7.128294 -1.378445 -1.397052
H -6.873837 1.362278 1.827190
H -6.262696 1.910620 0.232411
H -5.222856 -1.994598 0.074361
H -4.619066 -1.472807 -1.535044
H -4.361655 1.300170 1.699880
H -5.064217 -0.319545 2.030125
H -8.715334 0.838631 -0.993567
H -8.894053 1.157661 0.740010
H -9.469432 -1.243918 1.205827
H -9.278876 -1.647631 -0.542278
H -2.825652 -1.655784 -1.564827
H -2.568831 1.227329 1.666766
H -0.369491 -1.765445 -1.654980
H -0.106561 1.083830 1.589750
H 1.723199 -1.424082 -0.059005
H -11.056303 -0.153445 -0.885415
H 3.571991 -1.802496 0.200129
H 6.590823 2.139872 -0.389744
H 0.741748 2.133204 -0.554188
H 5.515398 -3.273725 0.481033
H 8.565059 0.646833 -0.109407
H 2.404748 3.961591 -0.776222
H 7.989131 -3.567685 0.577935
H 9.493252 -1.636227 0.286390


%chk=000182797-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000182797

0 1
O -10.980145 -0.582380 -0.011522
N -7.219336 -0.178747 0.385983
N -4.337017 -0.107866 0.083842
N 1.367901 -0.289101 -0.368131
N 4.284743 2.867601 -0.543670
C -6.580106 -0.434255 -0.926356
C -6.400572 0.790103 1.153767
C -5.159714 -1.002495 -0.752358
C -4.985686 0.230733 1.373003
C -8.642255 0.216007 0.278241
C -2.924469 -0.172301 -0.002871
C -9.569079 -0.994982 0.042940
C -2.259986 -1.138957 -0.817249
C -2.097893 0.760936 0.697025
C -0.051377 -0.203595 -0.260382
C -0.858183 -1.138701 -0.954532
C -0.698759 0.739754 0.581979
C 2.294785 0.754162 -0.381615
C 3.714162 0.437194 -0.219317
C 4.668872 1.538903 -0.335071
C 5.588921 -1.133153 0.173450
C 4.200506 -0.862196 0.051542
C 6.540879 -0.039640 0.022252
C 6.051760 1.267072 -0.219949
C 1.942534 2.101842 -0.574104
C 6.088346 -2.455091 0.449979
C 7.948687 -0.323490 0.142513
C 2.963547 3.097992 -0.643104
C 7.455814 -2.692694 0.561255
C 8.396026 -1.615275 0.403924
H -6.517167 0.506240 -1.532609
H -7.182600 -1.165175 -1.494502
H -6.876358 0.957685 2.137302
H -6.326340 1.776317 0.628375
H -5.225736 -2.024489 -0.311789
H -4.701492 -1.085079 -1.753150
H -4.385205 0.978150 1.913752
H -5.058117 -0.677546 2.013631
H -8.806476 0.974460 -0.533578
H -8.950430 0.692732 1.226748
H -9.505869 -1.686001 0.897265
H -9.285019 -1.548566 -0.876948
H -2.831142 -1.907578 -1.344810
H -2.549632 1.527004 1.334443
H -0.384284 -1.882232 -1.607709
H -0.104089 1.452301 1.161498
H 1.738656 -1.225156 -0.536859
H -11.108851 0.028385 -0.781135
H 3.510848 -1.701095 0.213617
H 6.738085 2.114808 -0.317888
H 0.902068 2.396315 -0.726521
H 5.372032 -3.277219 0.570047
H 8.662445 0.500377 0.025818
H 2.670057 4.142306 -0.810172
H 7.825230 -3.702856 0.769385
H 9.468481 -1.820370 0.493628


