%chk=000060559.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000060559

0 1
 O    3.603200       1.682700      -1.430600    
 O    2.283600     -0.7548000       2.282200    
 N    2.824000      0.7599000      0.5773000    
 N   -1.572300       2.175900     -3.9400000E-02
 N   -3.716600      0.2929000     -0.1679000    
 N   -4.426300      -1.957800     -8.8299997E-02
 N   -6.031400     -0.1606000     -6.2500000E-02
 C    4.925500      -1.195500      -1.351900    
 C    4.290600      -2.369200      0.4384000    
 C    3.484300     -0.7082000      -1.110200    
 C    3.046800      -1.517400      0.1226000    
 C    4.793300      -2.677300     -0.9778000    
 C    5.887800     -0.7045000     -0.2540000    
 C    5.450900      -1.511000      0.9773000    
 C    3.318500      0.7344000     -0.7127000    
 C    2.656900     -0.4879000       1.148400    
 C    2.555600       1.994100       1.289400    
 C    1.125200       2.483400       1.086600    
 C   0.7922000       2.736000     -0.3875000    
 C  -0.6566000       3.193200     -0.5541000    
 C   -2.962400       2.639100     -0.1341000    
 C   -1.413700      0.9182000     -0.7797000    
 C   -3.926500       1.606300      0.4541000    
 C   -2.327000     -0.1723000     -0.2141000    
 C   -4.758600     -0.6389000     -0.1045000    
 C   -5.455300      -2.828200     -2.6000001E-02
 C   -7.011100      -1.086100     -1.1000000E-03
 C   -6.780500      -2.446500      2.0000000E-02
 H    5.287600     -0.9990000      -2.363300    
 H    4.074800      -3.242100       1.058200    
 H    2.835700     -0.9295000      -1.965500    
 H    2.179700      -2.143800     -0.1163000    
 H    5.747400      -3.215000     -0.9919000    
 H    4.061800      -3.215700      -1.590100    
 H    5.843300      0.3744000     -8.2199998E-02
 H    6.923400     -0.9546000     -0.5128000    
 H    5.168900     -0.8695000       1.816600    
 H    6.275700      -2.150300       1.313700    
 H    2.732300       1.830300       2.358300    
 H    3.259400       2.759900      0.9439000    
 H   0.4471000       1.733600       1.510300    
 H   0.9801000       3.406400       1.660800    
 H    1.006800       1.880500      -1.028700    
 H    1.441800       3.542200     -0.7534000    
 H  -0.8510000       3.410700      -1.612300    
 H  -0.7938000       4.131400     -1.5000000E-03
 H   -3.084300       3.576500      0.4223000    
 H   -3.233400       2.841400      -1.179300    
 H   -1.629300       1.063700      -1.846800    
 H  -0.4027000      0.5099000     -0.6990000    
 H   -4.944100       1.979000      0.2881000    
 H   -3.779600       1.522200       1.538500    
 H   -2.001600     -0.4584000      0.7944000    
 H   -2.227800      -1.053300     -0.8601000    
 H   -5.175600      -3.876300     -1.3900000E-02
 H   -8.020700     -0.6908000      3.1800002E-02
 H   -7.586000      -3.166600      6.9499999E-02


%chk=000060559-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000060559

0 1
O 3.980963 1.704056 -1.665467
O 2.369810 -0.625433 2.073384
N 3.069268 0.791048 0.317088
N -1.752297 1.883598 -0.000063
N -3.980713 0.123969 0.432562
N -5.038967 -1.782543 -0.477435
N -6.342856 0.088530 0.437901
C 5.526177 -1.163459 -1.280674
C 4.734884 -2.304465 0.544573
C 4.009927 -0.762465 -1.229648
C 3.470303 -1.541435 0.016298
C 5.431039 -2.647425 -0.808603
C 6.290407 -0.510840 -0.089573
C 5.744702 -1.292298 1.164250
C 3.712556 0.709612 -0.946582
C 2.896006 -0.470464 0.943456
C 2.657555 2.064468 0.942320
C 1.140126 2.334516 0.833923
C 0.633411 2.487884 -0.615450
C -0.864524 2.855987 -0.687721
C -3.117833 2.426973 0.212143
C -1.817121 0.565689 -0.680004
C -3.963465 1.457793 1.061331
C -2.646743 -0.435918 0.148077
C -5.147911 -0.538397 0.123110
C -6.204449 -2.418529 -0.761038
C -7.478273 -0.590396 0.133128
C -7.476659 -1.868881 -0.474044
H 5.986942 -0.982252 -2.263509
H 4.484427 -3.149849 1.203064
H 3.514945 -1.050616 -2.173963
H 2.673141 -2.264570 -0.231739
H 6.420189 -3.120506 -0.675944
H 4.813577 -3.280433 -1.471532
H 6.122605 0.578442 -0.027826
H 7.377418 -0.663487 -0.213493
H 5.270914 -0.633105 1.912062
H 6.555212 -1.837132 1.680218
H 2.950647 2.019543 2.006859
H 3.234714 2.860098 0.436849
H 0.576720 1.535921 1.347860
H 0.932367 3.269394 1.393378
H 0.826968 1.558251 -1.185845
H 1.207909 3.280812 -1.134199
H -1.157363 2.988277 -1.761923
H -1.011739 3.836862 -0.193469
H -3.034936 3.392881 0.744354
H -3.645386 2.614098 -0.758723
H -2.264445 0.656066 -1.703741
H -0.794224 0.164467 -0.792285
H -5.001882 1.808707 1.156890
H -3.510950 1.375240 2.070301
H -2.123518 -0.630480 1.106241
H -2.779645 -1.385956 -0.390767
H -6.104955 -3.402052 -1.235870
H -8.416994 -0.083640 0.387297
H -8.401980 -2.399056 -0.708585


