%chk=000027545.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000027545

0 1
 O    4.369500      0.1279000      0.2030000    
 N  -0.2054000      -1.550100     -0.1723000    
 N   -4.279800      0.2193000      0.2255000    
 C   -1.166200      0.4561000     -0.2969000    
 C   -1.407700     -0.9049000     -0.2917000    
 C   -2.216400       1.509900     -0.4159000    
 C   -2.699700      -1.636900     -0.3937000    
 C   0.2488000      0.6337000     -0.1752000    
 C   -3.378300       1.327000      0.5656000    
 C   -3.750500      -1.102500      0.5831000    
 C   0.8206000     -0.6379000     -9.7800002E-02
 C    1.101600       1.756900     -0.1237000    
 C    2.199300     -0.8432000      2.9999999E-02
 C    3.021000      0.2856000      8.0100000E-02
 C    2.482400       1.567500      4.1000000E-03
 C    4.860900      -1.208500      0.2758000    
 H   -1.768900       2.494200     -0.2321000    
 H   -2.592000       1.531400      -1.446900    
 H   -3.073100      -1.576100      -1.423600    
 H   -2.540200      -2.701800     -0.1825000    
 H   -3.018900       1.236900       1.598300    
 H   -3.978400       2.244700      0.5290000    
 H   -4.597000      -1.799900      0.5596000    
 H   -3.377600      -1.108400       1.615100    
 H  -8.6000003E-02  -2.553300     -0.1424000    
 H   -5.148500      0.3561000      0.7443000    
 H   0.6998000       2.764500     -0.1817000    
 H    2.557000      -1.864000      8.2900003E-02
 H    3.135100       2.436200      4.3600000E-02
 H    5.950000      -1.147100      0.3719000    
 H    4.653800      -1.765300     -0.6445000    
 H    4.491500      -1.726300       1.167500    


%chk=000027545-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000027545

0 1
O 4.455143 0.166579 0.159096
N -0.228991 -1.617202 -0.136804
N -4.324441 0.247551 0.160092
C -1.196242 0.450389 -0.233105
C -1.457497 -0.923405 -0.228838
C -2.219029 1.558549 -0.346130
C -2.763046 -1.668221 -0.338799
C 0.246093 0.608195 -0.139383
C -3.462097 1.383940 0.561010
C -3.881150 -1.100318 0.572163
C 0.827348 -0.705617 -0.078807
C 1.117415 1.730970 -0.099397
C 2.220417 -0.932876 0.022252
C 3.048203 0.211005 0.060435
C 2.502776 1.530059 -0.000528
C 5.078905 -1.151689 0.225918
H -1.736677 2.521185 -0.085053
H -2.579950 1.652613 -1.390642
H -3.137563 -1.637254 -1.381816
H -2.607058 -2.735084 -0.077064
H -3.116534 1.287648 1.620200
H -4.075440 2.302982 0.492100
H -4.755477 -1.775884 0.505948
H -3.517689 -1.118727 1.629728
H -0.142033 -2.630609 -0.100198
H -5.307114 0.412918 0.402479
H 0.719774 2.750993 -0.147078
H 2.628722 -1.947056 0.066601
H 3.200795 2.372061 0.031895
H 6.159682 -0.959088 0.300941
H 4.870016 -1.746345 -0.686303
H 4.739438 -1.716562 1.117586


