%chk=000120971.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000120971

0 1
 O   -5.704000      -1.831500     -0.9402000    
 O   -7.251200      1.8300001E-02  0.4420000    
 N   0.5129000      0.7113000      0.5118000    
 N    3.270700      6.8700001E-02  0.1363000    
 C    1.317100      0.2083000       1.632500    
 C   0.9701000      0.1030000     -0.7434000    
 C    2.797300      0.5469000       1.441400    
 C    2.439200      0.4368000      -1.013800    
 C  -0.9053000      0.4303000      0.7317000    
 C    4.646400     -0.1221000     -3.4600001E-02
 C   -1.757900      0.9916000     -0.4069000    
 C    5.252200      -1.363500      0.2542000    
 C    5.475400      0.9206000     -0.5004000    
 C   -3.225300      0.7280000     -0.1813000    
 C    6.623800      -1.553400      8.5100003E-02
 C    6.846800      0.7307000     -0.6698000    
 C    4.423900      -2.503300      0.7515000    
 C    4.889000       2.256900     -0.8222000    
 C    7.421000     -0.5064000     -0.3769000    
 C   -3.790400     -0.4403000     -0.6698000    
 C   -3.985700       1.658900      0.5101000    
 C   -5.148000     -0.6835000     -0.4618000    
 C   -5.343300       1.415800      0.7181000    
 C   -5.924500      0.2445000      0.2321000    
 C   -5.694600      -2.965500     -7.5300001E-02
 C   -8.155800      0.4990000     -0.5504000    
 H    1.201100     -0.8791000       1.736200    
 H   0.9805000      0.6634000       2.571800    
 H   0.4315000      0.4857000      -1.613800    
 H   0.8371000     -0.9871000     -0.7210000    
 H    2.942600       1.630600       1.522100    
 H    3.369500      8.2500003E-02   2.253800    
 H    2.767700     -0.1021000      -1.910900    
 H    2.499200       1.508900      -1.221600    
 H   -1.081000     -0.6492000      0.8368000    
 H   -1.224800      0.8951000       1.673700    
 H   -1.515200      0.5498000      -1.378400    
 H   -1.590100       2.071500     -0.5148000    
 H    7.087600      -2.510300      0.3098000    
 H    7.481700       1.535400      -1.031000    
 H    3.564300      -2.675300      9.4800003E-02
 H    4.994700      -3.438100      0.7783000    
 H    4.068900      -2.303600       1.767300    
 H    5.671000       3.026400     -0.8229000    
 H    4.451900       2.254300      -1.825000    
 H    4.160000       2.592900     -8.1900001E-02
 H    8.488800     -0.6542000     -0.5089000    
 H   -3.187900      -1.166500      -1.209200    
 H   -3.541700       2.573000      0.8940000    
 H   -5.941900       2.142500       1.260600    
 H   -6.253300      -2.755300      0.8422000    
 H   -4.666900      -3.253600      0.1680000    
 H   -6.177300      -3.797300     -0.5956000    
 H   -9.171800      0.2358000     -0.2441000    
 H   -7.950000      3.1500001E-02  -1.518500    
 H   -8.087000       1.588100     -0.6365000    


%chk=000120971-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000120971

0 1
O -5.914113 -1.622331 -1.263914
O -7.349277 -0.083583 0.776117
N 0.566771 0.576190 0.354955
N 3.415242 0.266640 0.090977
C 1.383611 0.110504 1.505307
C 1.173691 0.125579 -0.923763
C 2.824109 0.644572 1.388682
C 2.604261 0.685324 -1.063199
C -0.861263 0.204733 0.492505
C 4.820168 -0.003255 -0.019211
C -1.795461 1.048059 -0.418151
C 5.327947 -1.221473 0.544967
C 5.714303 0.899925 -0.682968
C -3.261662 0.757933 -0.135457
C 6.707161 -1.517546 0.424270
C 7.082274 0.551477 -0.804682
C 4.404701 -2.212906 1.228351
C 5.249967 2.251253 -1.204753
C 7.584936 -0.646534 -0.255444
C -3.944374 -0.279355 -0.817878
C -3.963666 1.480700 0.864168
C -5.289838 -0.586546 -0.525857
C -5.316607 1.196381 1.148577
C -5.995229 0.176053 0.449104
C -6.373130 -2.769886 -0.447205
C -8.303960 0.161740 -0.330093
H 1.415252 -1.007824 1.560485
H 0.924534 0.488524 2.438228
H 0.561815 0.495715 -1.766214
H 1.210133 -0.992946 -0.983217
H 2.796291 1.754012 1.505070
H 3.444109 0.238740 2.205925
H 3.065626 0.293393 -1.986908
H 2.523329 1.793123 -1.153016
H -1.034893 -0.883215 0.288581
H -1.155224 0.381614 1.544787
H -1.569175 0.839854 -1.480660
H -1.563463 2.113472 -0.235816
H 7.087563 -2.454846 0.848768
H 7.762363 1.246101 -1.313245
H 3.437774 -2.268947 0.696268
H 4.861124 -3.217321 1.260654
H 4.176335 -1.922898 2.273280
H 6.116293 2.911289 -1.383242
H 4.693781 2.171784 -2.157957
H 4.581512 2.751176 -0.480954
H 8.647586 -0.895666 -0.351415
H -3.440494 -0.873764 -1.588682
H -3.452976 2.283470 1.409350
H -5.873851 1.763804 1.901188
H -7.074064 -2.440525 0.340790
H -5.504808 -3.279156 0.012755
H -6.874944 -3.449650 -1.152735
H -9.290444 -0.126896 0.064000
H -8.046914 -0.445444 -1.216846
H -8.305733 1.235177 -0.599329


