%chk=000039467.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000039467

0 1
 O  -0.8059000     -0.2976000       2.625500    
 N   -3.450200       1.697300     -0.3625000    
 N   0.6200000       1.475200       2.468700    
 C   8.7899998E-02  0.2300000      0.3854000    
 C   -1.061800       1.136400     -0.2144000    
 C  -2.8300000E-02  -1.263900     -3.1199999E-02
 C    1.486200      0.7227000     -9.3699999E-02
 C   -2.486900      0.7879000      0.2531000    
 C  -7.0600003E-02  0.4055000       1.932000    
 C   0.4040000      -2.204800      0.8570000    
 C    2.583800      8.6000003E-02  0.4035000    
 C  -0.5555000      -1.540600      -1.258500    
 C    1.521100       1.758100     -0.9793000    
 C   -4.804200       1.405500      0.1089000    
 C   -3.386500       1.601400      -1.820900    
 C   0.2997000      -3.544700      0.4836000    
 C    3.835700      0.5268000     -2.5400000E-02
 C  -0.6598000      -2.880500      -1.631800    
 C    2.773100       2.198800      -1.408200    
 C  -0.2322000      -3.882600     -0.7607000    
 C    3.930300       1.583100     -0.9313000    
 H   -1.007500       1.107700      -1.304000    
 H  -0.8905000       2.181000      8.8100001E-02
 H   -2.730000     -0.2564000      2.5800001E-02
 H   -2.556600      0.9115000       1.338400    
 H   0.8356000      -1.985300       1.826100    
 H    2.551300     -0.7111000       1.133700    
 H  -0.8731000     -0.7964000      -1.975900    
 H   0.6735000       2.285000      -1.392500    
 H   -5.520400       2.124100     -0.3052000    
 H   -5.129500      0.3957000     -0.1666000    
 H   -4.862600       1.501700       1.198900    
 H   -2.508600       2.111800      -2.228200    
 H   -3.408800      0.5652000      -2.177700    
 H   -4.239500       2.121800      -2.274400    
 H    1.168400       2.125800       1.917400    
 H   0.5633000       1.674100       3.462200    
 H   0.6359000      -4.325300       1.159900    
 H    4.737300      5.3399999E-02  0.3522000    
 H   -1.067900      -3.144100      -2.603300    
 H    2.848400       3.021800      -2.113200    
 H  -0.3113000      -4.925700      -1.052400    
 H    4.905100       1.927600      -1.263700    


%chk=000039467-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000039467

0 1
O -0.921241 0.268446 2.699280
N -3.550393 1.495392 -0.423332
N 1.074954 1.397032 2.511499
C 0.118588 0.349983 0.433678
C -1.085766 1.138157 -0.217220
C -0.044582 -1.163481 0.118124
C 1.471849 0.844321 -0.145237
C -2.493195 0.586153 0.092680
C 0.051077 0.644278 1.973165
C -0.317908 -2.156460 1.090824
C 2.636799 0.041757 0.012212
C 0.078500 -1.568390 -1.239485
C 1.616407 2.105412 -0.781775
C -4.852970 1.242998 0.227786
C -3.671791 1.472503 -1.895485
C -0.456449 -3.514262 0.715687
C 3.894436 0.477451 -0.455495
C -0.067862 -2.918993 -1.615525
C 2.875561 2.543559 -1.255687
C -0.335656 -3.904114 -0.635632
C 4.021192 1.733834 -1.094796
H -0.916028 1.139996 -1.311313
H -1.070709 2.192201 0.119183
H -2.599991 -0.445335 -0.325427
H -2.607324 0.506610 1.186542
H -0.450558 -1.870962 2.137281
H 2.548214 -0.939237 0.492348
H 0.306560 -0.819656 -2.007620
H 0.747928 2.756353 -0.916895
H -5.591433 1.990999 -0.114744
H -5.268933 0.225308 0.012547
H -4.745259 1.342356 1.322055
H -2.722575 1.779794 -2.367494
H -3.945834 0.462522 -2.297724
H -4.450133 2.189725 -2.213127
H 1.876966 1.694342 1.957947
H 1.014924 1.640324 3.500348
H -0.666753 -4.265139 1.486040
H 4.773715 -0.163385 -0.324794
H 0.031319 -3.203598 -2.669352
H 2.957871 3.518651 -1.749235
H -0.446898 -4.955805 -0.922797
H 4.995784 2.072259 -1.463634


