%chk=000183004.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000183004

0 1
O -2.002550 -2.690906 -1.029723
O -1.109091 -4.935280 0.127605
O 1.677942 -4.628487 -0.234935
O -4.767209 0.729433 2.452898
N -1.420219 -0.272136 -0.676438
N -3.387339 0.852298 -1.445575
N -3.169177 0.175662 0.887260
N -6.291933 2.179870 0.169275
N -5.447020 2.194812 -1.958945
C -0.769141 -1.160337 0.338949
C -1.440052 -2.563513 0.290510
C 0.726905 -1.123437 0.087328
C -0.445325 -3.715486 0.513416
C 0.719575 -3.591337 -0.494571
C 1.431684 -2.271423 -0.315126
C 1.433655 0.085255 0.290965
C 2.833690 0.131708 0.029306
C 2.806932 -2.230347 -0.558908
C 3.520449 -1.035217 -0.405003
C 3.572310 1.362526 0.205042
C 0.796487 1.300864 0.776620
C 2.907105 2.535109 0.655942
C 4.967860 1.407050 -0.070458
C 4.946903 -0.962778 -0.673489
C 1.487414 2.453332 0.945874
C -2.705743 0.222910 -0.360806
C 5.632295 0.194548 -0.518042
C 3.633127 3.726515 0.815654
C 5.667110 2.612753 0.098230
C 5.000687 3.759590 0.536249
C -4.590102 1.489604 -1.118563
C -5.092192 1.467123 0.208401
C -4.383487 0.788272 1.306970
C -6.471806 2.601270 -1.148485
H -0.960148 -0.738099 1.374711
H -2.293630 -2.600377 1.008311
H -0.082657 -3.786485 1.558944
H 0.345636 -3.711410 -1.541010
H 3.321806 -3.149166 -0.857022
H -1.297573 -0.636283 -1.633221
H -0.270628 1.265151 1.011271
H -2.178760 -3.649130 -1.221362
H -1.632478 -5.293627 0.875367
H 5.441757 -1.876298 -1.004486
H 1.227860 -5.504440 -0.297553
H 0.994873 3.355238 1.311469
H 6.701819 0.251763 -0.721044
H 3.127171 4.627362 1.159637
H 6.734594 2.654290 -0.112554
H 5.554690 4.689600 0.662663
H -3.019751 0.913449 -2.392574
H -6.884196 2.335027 0.967313
H -7.321029 3.181115 -1.488380


%chk=000183004-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000183004

0 1
O -1.839212 -3.084963 -1.339324
O -0.942028 -5.282990 0.118087
O 1.842426 -4.823342 -0.162470
O -4.090975 1.545699 2.624471
N -1.604913 -0.574599 -0.784362
N -3.423571 0.788312 -1.419696
N -2.856530 0.467048 0.916025
N -5.799370 2.747285 0.317428
N -5.364335 2.290014 -1.872644
C -0.861460 -1.415611 0.180251
C -1.422241 -2.867134 0.061665
C 0.660542 -1.294200 0.005786
C -0.382331 -3.937075 0.420396
C 0.845919 -3.797039 -0.486771
C 1.465886 -2.419426 -0.323725
C 1.291395 -0.023043 0.222878
C 2.714941 0.113150 0.018909
C 2.858545 -2.288105 -0.499291
C 3.500483 -1.035844 -0.359126
C 3.364670 1.383479 0.204242
C 0.558468 1.145179 0.675601
C 2.601210 2.532774 0.620217
C 4.785779 1.513358 -0.014882
C 4.925035 -0.882943 -0.567137
C 1.187849 2.362584 0.865661
C -2.651574 0.231508 -0.385769
C 5.542411 0.343303 -0.408542
C 3.257864 3.781595 0.795279
C 5.403167 2.780122 0.167445
C 4.644557 3.901962 0.566616
C -4.466527 1.628154 -1.045826
C -4.699479 1.882978 0.313257
C -3.892071 1.314042 1.391805
C -6.163296 2.963801 -1.002509
H -1.148550 -1.029231 1.176290
H -2.312971 -2.957454 0.717227
H -0.078621 -3.868258 1.483103
H 0.500487 -3.934814 -1.534672
H 3.441573 -3.183952 -0.731403
H -1.604072 -0.947261 -1.737950
H -0.507814 1.061722 0.903973
H -1.977744 -4.064528 -1.439898
H -1.475563 -5.607947 0.885606
H 5.505025 -1.767444 -0.854474
H 1.372227 -5.696162 -0.214657
H 0.611872 3.224754 1.222245
H 6.621344 0.449930 -0.571697
H 2.673810 4.652773 1.114104
H 6.481855 2.878239 -0.002535
H 5.137178 4.870702 0.703990
H -3.231203 0.616401 -2.408116
H -6.227870 3.129658 1.160450
H -6.993097 3.600340 -1.297625


