%chk=000218481.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000218481

0 1
O -0.036924 -0.004776 0.171129
O 2.460380 -1.539242 0.208412
O -3.143500 1.704527 0.540135
O 4.856030 0.093933 -0.482937
O -0.312253 -3.164255 0.022987
O -5.794883 1.053290 -0.269757
N -2.873970 -0.491391 0.018107
C -0.294307 2.238655 -0.362753
C 1.117252 1.905185 -0.441129
C -0.950974 1.079721 -0.016270
C 1.211798 0.530587 -0.102005
C -2.379022 0.797244 0.208771
C -2.083148 -1.608573 -0.542971
C -4.295338 -0.766886 0.359736
C 2.426260 -0.179426 -0.061854
C 2.290615 2.610813 -0.765822
C -0.892450 3.559798 -0.611740
C 3.576344 0.553944 -0.406138
C 3.497425 1.939410 -0.753041
C -1.415595 -2.441092 0.572557
C -5.264703 -0.200730 -0.695707
C 2.222957 -1.848743 1.613778
C 5.109653 -1.312728 -0.215714
H -2.734394 -2.253159 -1.173340
H -1.295501 -1.217569 -1.232428
H -4.439177 -1.859614 0.486434
H -4.531059 -0.294225 1.347339
H 2.235514 3.668119 -1.025565
H -0.847873 3.833295 -1.677086
H -0.380005 4.353168 -0.046645
H -1.958536 3.587640 -0.308463
H 4.430103 2.444921 -1.006912
H -1.068545 -1.801900 1.405551
H -2.075918 -3.237391 0.959449
H -4.785005 -0.074132 -1.683127
H -6.167495 -0.831654 -0.801991
H 0.422910 -2.541877 -0.216895
H -5.050219 1.664972 -0.002970
H 3.035003 -1.452594 2.227004
H 2.214346 -2.945761 1.607298
H 1.255008 -1.448078 1.931045
H 4.443970 -1.945863 -0.814872
H 4.980533 -1.509216 0.851578
H 6.156593 -1.411243 -0.526179


%chk=000218481-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000218481

0 1
O -0.143478 0.006144 0.129156
O 2.226743 -1.579520 0.464115
O -3.296249 1.838144 0.012342
O 4.791725 -0.103466 0.129024
O -0.349556 -3.116071 0.495407
O -5.809484 1.126110 -0.760531
N -2.985226 -0.471008 -0.037402
C -0.336213 2.257485 -0.431653
C 1.080158 1.912268 -0.336670
C -1.046394 1.088396 -0.156833
C 1.139197 0.534360 -0.002058
C -2.498024 0.825937 -0.061940
C -2.207459 -1.690519 -0.381555
C -4.423417 -0.665590 0.312345
C 2.321263 -0.200827 0.175043
C 2.302751 2.619636 -0.487078
C -0.881679 3.616827 -0.767079
C 3.532841 0.516078 -0.022156
C 3.508513 1.910099 -0.326042
C -1.564269 -2.391988 0.857351
C -5.434355 -0.278904 -0.799781
C 2.830808 -1.999812 1.759478
C 5.073531 -1.194935 -0.837785
H -2.893020 -2.380183 -0.906428
H -1.406533 -1.429615 -1.088325
H -4.536243 -1.733549 0.569302
H -4.661213 -0.065433 1.210899
H 2.315081 3.686217 -0.730244
H -0.487673 3.968532 -1.739262
H -0.574110 4.356091 -0.003042
H -1.980235 3.598427 -0.800999
H 4.476549 2.406817 -0.444213
H -1.366787 -1.625681 1.632626
H -2.242046 -3.155013 1.277450
H -5.013255 -0.567567 -1.789470
H -6.369956 -0.848098 -0.646015
H 0.394322 -2.469412 0.335401
H -4.982648 1.639194 -0.504677
H 3.900519 -1.731516 1.787578
H 2.692810 -3.089817 1.799119
H 2.294687 -1.517117 2.596148
H 5.126574 -0.784294 -1.863189
H 4.299704 -1.981886 -0.788987
H 6.053646 -1.597836 -0.542373


