%chk=000059293.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000059293

0 1
 O  -0.5647000     -0.3283000      0.8518000    
 O   0.9384000      -2.608200      0.5015000    
 N   -4.021400     -0.7149000     -0.3680000    
 C   0.4585000       2.260900      0.2668000    
 C    1.259200       1.013800      8.5199997E-02
 C   0.7197000     -0.2339000      0.3833000    
 C    2.566300       1.106800     -0.3927000    
 C   0.2304000       3.010400      -1.058700    
 C    1.080200       3.211800       1.306100    
 C    1.475200      -1.389400      0.2084000    
 C   -1.592300     -0.4723000     -0.1198000    
 C    2.782400      -1.296300     -0.2694000    
 C   -2.929300     -0.5821000      0.5957000    
 C    3.327900     -4.8099998E-02 -0.5699000    
 C    3.613000      -2.521500     -0.4663000    
 C   -4.040600      0.4289000      -1.279300    
 C   -5.303000     -0.8375000      0.3254000    
 H  -0.5382000       2.023400      0.6554000    
 H    3.012900       2.067400     -0.6340000    
 H    1.166100       3.393200      -1.480200    
 H  -0.4383000       3.864500     -0.9059000    
 H  -0.2297000       2.353500      -1.805000    
 H    2.051500       3.598800      0.9799000    
 H    1.227200       2.699300       2.263300    
 H   0.4232000       4.070500       1.482400    
 H   -1.548100      0.3973000     -0.7808000    
 H   -1.409700      -1.373300     -0.7190000    
 H   -2.898900      -1.457900       1.256700    
 H   -3.068700      0.2885000       1.251100    
 H    4.344600      4.1999999E-02 -0.9432000    
 H    3.750100      -3.052000      0.4819000    
 H    3.148400      -3.189500      -1.199100    
 H    4.611900      -2.275700     -0.8438000    
 H   -4.955300      0.4180000      -1.885000    
 H   -3.225400      0.3850000      -2.008100    
 H   -4.006900       1.388900     -0.7512000    
 H   -5.299300      -1.708400      0.9906000    
 H   -6.116200     -0.9966000     -0.3916000    
 H   -5.537700      5.1500000E-02  0.9221000    
 H    1.571200      -3.322700      0.3306000    


%chk=000059293-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000059293

0 1
O -0.599424 0.150351 0.560977
O 0.667334 -2.361925 0.335636
N -4.129690 -0.877642 -0.140601
C 0.686859 2.592399 -0.015314
C 1.415317 1.258474 -0.198925
C 0.725198 0.046114 0.088746
C 2.770726 1.174404 -0.599840
C 1.277655 3.746050 -0.856517
C 0.648044 2.973673 1.492815
C 1.396452 -1.202426 -0.013681
C -1.653685 -0.632864 -0.138550
C 2.752436 -1.280035 -0.430078
C -2.976219 -0.234342 0.531724
C 3.423934 -0.070766 -0.720161
C 3.445770 -2.628404 -0.535776
C -4.539704 -0.186701 -1.379542
C -5.273202 -1.108700 0.763731
H -0.363785 2.433934 -0.328880
H 3.320353 2.090832 -0.834672
H 2.291977 4.025169 -0.513702
H 0.642009 4.645413 -0.759194
H 1.338355 3.481764 -1.928292
H 1.672215 3.122377 1.883848
H 0.161003 2.177498 2.081045
H 0.082626 3.913198 1.640617
H -1.639273 -0.368016 -1.215141
H -1.466368 -1.712377 -0.026823
H -2.940865 -0.574402 1.582249
H -3.058051 0.880759 0.552439
H 4.471420 -0.108861 -1.041261
H 3.498751 -3.154475 0.440037
H 2.946700 -3.304461 -1.259877
H 4.484534 -2.499701 -0.881814
H -5.315341 -0.779976 -1.896470
H -3.681146 -0.086353 -2.065476
H -4.953095 0.837936 -1.192753
H -4.948070 -1.708732 1.631744
H -6.056708 -1.677764 0.230619
H -5.738842 -0.165196 1.148341
H 1.248399 -3.160423 0.275974


