%chk=000213471.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000213471

0 1
O -0.501067 0.372108 0.129332
O -2.777153 -0.314262 -1.210748
N 3.605971 1.267479 1.038656
C 4.069387 2.025987 -0.171583
C 4.793597 1.246190 1.958945
C 5.605112 1.887752 -0.272659
C 6.072922 1.379206 1.103092
C 3.139930 -0.118849 0.704881
C 1.781589 -0.066553 -0.008954
C 0.755401 0.710757 0.810844
C -1.660794 0.899273 0.619497
C -2.838292 0.465429 -0.051229
C -1.773283 1.795333 1.688652
C -4.094208 0.918181 0.342774
C -3.041732 2.250449 2.072484
C -2.366130 -1.641978 -1.083925
C -4.192158 1.821725 1.410335
C -2.053751 -2.256068 -2.322453
C -2.312980 -2.331916 0.128269
C -1.688270 -3.603938 -2.298421
C -2.129371 -1.484317 -3.595672
C -1.939310 -3.680808 0.113508
C -1.629931 -4.313929 -1.090456
H 3.559243 1.691593 -1.092716
H 3.780260 3.086272 -0.009142
H 4.681420 2.121429 2.634583
H 4.811251 0.347367 2.599509
H 6.073440 2.851878 -0.527418
H 5.888544 1.183645 -1.071877
H 6.592221 0.411390 1.011261
H 6.790283 2.074308 1.567874
H 3.034897 -0.684382 1.657484
H 3.864419 -0.683691 0.079394
H 1.408027 -1.097270 -0.189572
H 1.877220 0.387484 -1.015532
H 0.906866 1.801749 0.761834
H 0.692008 0.371985 1.856979
H -0.893081 2.148722 2.217482
H -4.980591 0.571835 -0.188184
H -3.123684 2.951956 2.902797
H -5.170058 2.184372 1.718332
H -2.553398 -1.833497 1.063548
H -1.443913 -4.110182 -3.231204
H -1.357796 -1.787569 -4.313062
H -2.008105 -0.402760 -3.415356
H -3.108835 -1.617475 -4.077266
H -1.893918 -4.233954 1.049960
H -1.342700 -5.362257 -1.097374


%chk=000213471-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000213471

0 1
O -0.480526 0.235522 0.190635
O -2.788891 -0.312305 -1.227876
N 3.630641 1.456487 0.987380
C 4.126428 2.075742 -0.280621
C 4.762010 1.686407 1.933722
C 5.677357 1.811694 -0.347196
C 6.074265 1.438232 1.118747
C 3.262106 0.016496 0.841769
C 1.894208 -0.170234 0.152461
C 0.774635 0.546697 0.908038
C -1.664096 0.790215 0.676663
C -2.852415 0.456839 -0.040105
C -1.760158 1.645849 1.801873
C -4.094513 0.988914 0.347007
C -3.014934 2.171185 2.190106
C -2.433422 -1.686534 -1.165933
C -4.183193 1.851621 1.465389
C -2.119291 -2.282463 -2.417502
C -2.443113 -2.426487 0.035136
C -1.811352 -3.663174 -2.419046
C -2.116560 -1.448985 -3.681916
C -2.129117 -3.803639 0.000034
C -1.812226 -4.427099 -1.227306
H 3.582900 1.672448 -1.151438
H 3.932499 3.164014 -0.239450
H 4.724825 2.741220 2.269300
H 4.664407 1.043220 2.824951
H 6.211978 2.711688 -0.698604
H 5.918622 0.992396 -1.046790
H 6.373201 0.376543 1.184514
H 6.915709 2.045145 1.496244
H 3.213870 -0.412345 1.861677
H 4.027049 -0.573709 0.280276
H 1.661679 -1.250232 0.092937
H 1.922889 0.206387 -0.887009
H 0.948196 1.638785 0.921750
H 0.703233 0.181697 1.954197
H -0.863183 1.915125 2.366749
H -4.978027 0.719746 -0.240301
H -3.071251 2.835839 3.059130
H -5.152624 2.263847 1.762749
H -2.695188 -1.934935 0.980354
H -1.565501 -4.143839 -3.373842
H -1.805643 -2.051316 -4.552721
H -1.432590 -0.586425 -3.582883
H -3.118405 -1.027938 -3.886431
H -2.136993 -4.383260 0.929992
H -1.570003 -5.494880 -1.259305


