%chk=000096437.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000096437

0 1
 O   -5.405500      0.5485000      0.3341000    
 N   -1.480800     -0.4486000     -0.1640000    
 C   -1.926100      0.9473000     -0.2957000    
 C   -2.325200      -1.170900      0.8000000    
 C  -7.8900002E-02 -0.4973000      0.2526000    
 C   -3.357300       1.027900     -0.8181000    
 C   -3.779800      -1.214900      0.3419000    
 C   -4.276100      0.1751000      2.3499999E-02
 C   0.8506000      0.2028000     -0.7357000    
 C    2.302000      0.1342000     -0.3285000    
 C    2.832500       1.135800      0.4696000    
 C    3.079700     -0.9290000     -0.7601000    
 C    4.174300       1.072700      0.8456000    
 C    4.421500     -0.9922000     -0.3840000    
 C    4.968700      8.6000003E-03  0.4188000    
 H   -1.331800       1.503700      -1.024700    
 H   -1.850700       1.471600      0.6662000    
 H   -2.265900     -0.7015000       1.791300    
 H   -1.972300      -2.203800      0.9075000    
 H   0.2329000      -1.546900      0.3360000    
 H   4.5000002E-02 -5.6400001E-02   1.251500    
 H   -3.419000      0.6723000      -1.852800    
 H   -3.706300       2.065400     -0.7886000    
 H   -4.404800      -1.646600       1.130600    
 H   -3.888800      -1.828500     -0.5593000    
 H   0.7334000     -0.2322000      -1.737400    
 H   0.6172000       1.266800     -0.8456000    
 H    2.221800       1.967200      0.8097000    
 H    2.662100      -1.714100      -1.383900    
 H    4.600300       1.851500       1.471300    
 H    5.040100      -1.821000     -0.7157000    
 H    6.013400     -4.0800001E-02  0.7118000    


%chk=000096437-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000096437

0 1
O -5.577907 0.268716 0.281581
N -1.488965 -0.260493 -0.067996
C -2.091234 1.093178 -0.126371
C -2.307609 -1.161074 0.780150
C -0.058664 -0.252755 0.328552
C -3.503171 1.042392 -0.764365
C -3.728786 -1.334196 0.185185
C -4.393232 0.017225 -0.065324
C 0.878075 0.280934 -0.789319
C 2.341188 0.152817 -0.391067
C 2.993265 1.187004 0.329297
C 3.072683 -1.026074 -0.689689
C 4.338405 1.049343 0.740810
C 4.417911 -1.169070 -0.281088
C 5.055706 -0.131075 0.437522
H -1.447127 1.752767 -0.732712
H -2.165706 1.548601 0.895317
H -2.395821 -0.776517 1.829103
H -1.810341 -2.146445 0.832072
H 0.234377 -1.295894 0.552324
H 0.115347 0.336809 1.264360
H -3.393302 0.735253 -1.823275
H -3.991199 2.031629 -0.733647
H -4.369293 -1.940881 0.847982
H -3.632638 -1.854435 -0.788493
H 0.665923 -0.295519 -1.708369
H 0.641156 1.340254 -1.002721
H 2.445377 2.109145 0.561890
H 2.585862 -1.832512 -1.252770
H 4.827121 1.860596 1.292522
H 4.969118 -2.084213 -0.526169
H 6.099681 -0.238806 0.752607


