%chk=000043242.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000043242

0 1
 O   -3.314100      -1.519000      -1.895800    
 O    6.083500       1.408000     -0.3070000    
 O    5.412800     -0.4514000      0.8387000    
 N    1.566500      0.6584000     -0.8075000    
 N    2.493500     -0.8930000      0.4864000    
 N    3.900900      0.8459000     -0.4092000    
 C   -1.585500      -1.217400     -0.2096000    
 C   -3.049100      -1.276200     -0.5025000    
 C   0.5424000     -0.1816000     -0.4522000    
 C  -0.8188000     -0.1841000     -0.7584000    
 C    1.146500      -1.141500      0.3552000    
 C   -3.814900     -3.8600001E-02 -5.1899999E-02
 C   -1.008100      -2.194800      0.6042000    
 C   0.3611000      -2.172300      0.8981000    
 C    2.710900      0.1920000     -0.2227000    
 C   -4.231900      4.4700000E-02   1.260100    
 C   -4.066500      0.9594000     -0.9700000    
 C   -4.932800       1.177800       1.673000    
 C   -4.767400       2.092500     -0.5571000    
 C   -5.200500       2.201600      0.7644000    
 C    5.147800      0.5002000      0.1146000    
 C    7.423700       1.189300      0.1492000    
 H   -3.496200      -2.138300      9.7000003E-03
 H   -1.240100      0.5778000      -1.403500    
 H   -1.615100      -2.993300       1.024700    
 H   0.8005000      -2.936300       1.531600    
 H    1.489300       1.476600      -1.396600    
 H   -4.026200     -0.7476000       1.973400    
 H   -3.733100      0.9024000      -2.001300    
 H   -2.587200      -2.055600      -2.255200    
 H   -5.269700       1.263100       2.702000    
 H   -4.974200       2.890900      -1.263600    
 H    3.870100       1.676000     -0.9959000    
 H   -5.745600       3.084200       1.086000    
 H    7.464000       1.237600       1.241500    
 H    8.055300       1.981700     -0.2608000    
 H    7.793000      0.2242000     -0.2106000    


%chk=000043242-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000043242

0 1
O -3.292904 -1.354473 -2.076807
O 6.164208 1.420568 -0.157367
O 5.542164 -0.599343 0.892481
N 1.634486 0.710216 -0.714583
N 2.555996 -1.016806 0.484767
N 4.006792 0.813775 -0.270575
C -1.597166 -1.201663 -0.277371
C -3.086829 -1.237173 -0.612757
C 0.566796 -0.163860 -0.431626
C -0.800723 -0.123710 -0.739153
C 1.167144 -1.234875 0.318762
C -3.863570 -0.002840 -0.147371
C -1.012984 -2.269014 0.465519
C 0.364577 -2.301739 0.773418
C 2.788781 0.141699 -0.139321
C -3.750737 0.426667 1.199519
C -4.725625 0.695568 -1.025641
C -4.488336 1.538453 1.661152
C -5.459948 1.812817 -0.563817
C -5.346901 2.237290 0.779459
C 5.249893 0.413770 0.234570
C 7.555885 1.185454 0.281016
H -3.524678 -2.134061 -0.119813
H -1.262490 0.693256 -1.303454
H -1.658257 -3.088096 0.806554
H 0.809144 -3.120872 1.345395
H 1.568092 1.585350 -1.231235
H -3.075455 -0.102417 1.883178
H -4.808341 0.354853 -2.060937
H -2.690913 -2.065457 -2.412771
H -4.392311 1.860649 2.704343
H -6.123956 2.347726 -1.252766
H 4.025976 1.696581 -0.784283
H -5.919643 3.100752 1.136734
H 7.607155 1.126459 1.381262
H 8.118829 2.051565 -0.094185
H 7.940653 0.246230 -0.150895


