%chk=000106429.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000106429

1 1
 O    2.211700      -1.351700       1.012900    
 N   -2.963300      0.4185000      0.1696000    
 N    1.174900     -0.5185000     -0.8728000    
 C   -1.748800      9.4800003E-02 -0.6886000    
 C   -1.092000      -1.174500     -0.1618000    
 C   -3.649700       1.664300     -0.3716000    
 C   -3.935400     -0.7520000      0.1347000    
 C   -2.519400      0.6666000       1.604100    
 C   0.1657000      -1.539500     -0.9436000    
 C    2.142000     -0.5042000      0.1238000    
 C    3.116100      0.6367000      4.5400001E-02
 C    3.027900       1.666200      -1.039800    
 C    4.070300      0.6933000      0.9877000    
 H   -1.076700      0.9592000     -0.6430000    
 H   -2.092000     -3.3399999E-02  -1.722000    
 H  -0.7976000      -1.079700      0.8871000    
 H   -1.761000      -2.036400     -0.2435000    
 H   -3.961900       1.466600      -1.401400    
 H   -4.519500       1.885800      0.2540000    
 H   -2.936100       2.492900     -0.3390000    
 H   -3.548200      -1.585200      0.7263000    
 H   -4.878000     -0.4199000      0.5821000    
 H   -4.101600      -1.041800     -0.9071000    
 H   -2.248800     -0.2746000       2.088000    
 H   -1.681200       1.369500       1.598000    
 H   -3.364600       1.102100       2.147200    
 H   0.5765000      -2.482200     -0.5652000    
 H  -7.4600004E-02  -1.684700      -2.002600    
 H    1.152100      0.2029000      -1.585300    
 H    2.066400       2.188600     -0.9990000    
 H    3.813100       2.424900     -0.9492000    
 H    3.139400       1.200400      -2.024300    
 H    4.806000       1.491800      0.9876000    
 H    4.156900     -3.9099999E-02   1.783200    


%chk=000106429-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000106429

1 1
O 0.887058 -0.476735 1.137560
N -2.801181 0.375999 0.313069
N 1.154953 -0.462608 -1.174692
C -1.814800 0.004822 -0.830907
C -1.178120 -1.386522 -0.683165
C -3.595226 1.608872 -0.115412
C -3.775750 -0.766981 0.583025
C -2.021334 0.708081 1.592545
C 0.156413 -1.513132 -1.467621
C 1.539559 -0.084942 0.109063
C 2.740611 0.826215 0.196213
C 3.448271 1.275251 -1.071678
C 3.153213 1.191863 1.440785
H -1.036981 0.787697 -0.817296
H -2.389507 0.093397 -1.770235
H -0.944797 -1.598455 0.371804
H -1.857090 -2.172328 -1.061453
H -4.256102 1.342551 -0.954547
H -4.196168 1.964238 0.735787
H -2.892684 2.396425 -0.427729
H -3.230670 -1.619098 1.010987
H -4.537498 -0.418780 1.297591
H -4.256630 -1.063584 -0.361880
H -1.228582 -0.037328 1.756057
H -1.547258 1.693517 1.465725
H -2.726966 0.736279 2.437139
H 0.575017 -2.511713 -1.233368
H -0.034105 -1.484354 -2.556077
H 1.747181 -0.167470 -1.953523
H 2.775716 1.831014 -1.754770
H 4.285751 1.948166 -0.827879
H 3.878674 0.420694 -1.630970
H 4.023637 1.839125 1.589931
H 2.623996 0.827526 2.327823


