%chk=000147232.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000147232

0 1
 O   -4.364800      0.5838000       1.682700    
 O   -5.284500     -5.8699999E-02 -0.3778000    
 O    2.949600      -2.329300      0.2690000    
 O    5.300800       1.673500      0.7964000    
 O    5.364000       1.056200      -1.414800    
 N    5.172100     -0.5142000      0.2833000    
 C   -4.255700      0.7247000      0.2550000    
 C   -2.853100      0.2664000     -0.2032000    
 C   -4.485700       2.200800     -0.1074000    
 C   -2.637300      0.5440000      -1.699600    
 C   -4.260500       2.476000      -1.591800    
 C   -2.880500       2.011300      -2.042600    
 C   -2.589300      -1.214300      8.9500003E-02
 C   -5.686300      9.2100002E-02   1.895300    
 C   -5.935700     -0.7596000      0.6817000    
 C   -1.117500      -1.510900      0.1367000    
 C  -0.4429000      -1.884300      -1.025700    
 C  -0.4252000      -1.412600       1.343700    
 C   0.9237000      -2.159400     -0.9812000    
 C   0.9415000      -1.687800       1.388300    
 C    1.616000      -2.061200      0.2258000    
 C    3.704400      -2.061300     -0.9119000    
 C    5.128000      -1.700200     -0.5291000    
 C    5.286400      0.7664000     -0.2255000    
 C    5.415800       3.047600      0.4100000    
 C    5.416500       3.911100       1.653400    
 H   -2.124000      0.8636000      0.3646000    
 H   -5.509200       2.497800      0.1531000    
 H   -3.821700       2.835900      0.4931000    
 H   -1.613000      0.3089000      -2.001800    
 H   -3.303000     -8.4899999E-02  -2.303900    
 H   -5.030400       1.966900      -2.184200    
 H   -4.368900       3.549000      -1.786900    
 H   -2.112700       2.629900      -1.561600    
 H   -2.777200       2.159200      -3.123600    
 H   -3.082200      -1.860400     -0.6484000    
 H   -3.017500      -1.501200       1.057900    
 H   -5.746500     -0.4642000       2.833900    
 H   -6.370900      0.9460000       1.938700    
 H   -5.466200      -1.743900      0.7778000    
 H   -6.997400     -0.8937000      0.4594000    
 H  -0.9720000      -1.985700      -1.969500    
 H  -0.9385000      -1.120000       2.255900    
 H    1.403800      -2.477500      -1.901900    
 H    1.476000      -1.608400       2.331000    
 H    3.710600      -2.959100      -1.540100    
 H    3.282800      -1.222200      -1.480900    
 H    5.735000      -1.547100      -1.427300    
 H    5.576400      -2.502600      6.5899998E-02
 H    5.106600     -0.6205000       1.291100    
 H    4.568000       3.319000     -0.2288000    
 H    6.350300       3.194100     -0.1430000    
 H    5.503100       4.970000       1.394100    
 H    6.248400       3.638800       2.311300    
 H    4.495700       3.761500       2.226800    


%chk=000147232-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000147232

0 1
O -5.312213 -0.296056 1.578322
O -5.736551 -0.492301 -0.752606
O 2.830746 -1.255759 0.475436
O 6.644427 1.756406 0.474392
O 7.354369 0.112959 -1.065784
N 5.470858 -0.183330 0.311872
C -5.022282 0.339991 0.270804
C -3.495343 0.311290 0.028512
C -5.603825 1.764287 0.221422
C -3.161317 1.042252 -1.297606
C -5.258683 2.473301 -1.108373
C -3.729768 2.479825 -1.340583
C -2.932337 -1.139312 0.056969
C -6.536690 -1.101022 1.392952
C -6.382731 -1.620640 -0.048250
C -1.414077 -1.188867 0.124651
C -0.623071 -1.509624 -1.003656
C -0.738840 -0.897275 1.342698
C 0.790575 -1.542309 -0.939684
C 0.664601 -0.924165 1.430038
C 1.434145 -1.246771 0.285080
C 3.683189 -1.582942 -0.681753
C 5.123137 -1.520952 -0.169718
C 6.554347 0.510749 -0.176559
C 7.782377 2.613236 0.039802
C 7.713607 3.886456 0.877804
H -3.042077 0.876348 0.870716
H -6.698718 1.709383 0.366432
H -5.179557 2.331142 1.073149
H -2.064084 1.054565 -1.435282
H -3.592003 0.455312 -2.134279
H -5.756088 1.937595 -1.940125
H -5.657399 3.505665 -1.095030
H -3.239849 3.095368 -0.557457
H -3.492642 2.950197 -2.314183
H -3.295111 -1.669212 -0.844330
H -3.360576 -1.648762 0.940632
H -6.526572 -1.888862 2.162423
H -7.441251 -0.470914 1.506206
H -5.735419 -2.518502 -0.088257
H -7.341913 -1.825129 -0.552060
H -1.116642 -1.743065 -1.955070
H -1.325928 -0.656636 2.237827
H 1.363398 -1.797315 -1.836351
H 1.182529 -0.708906 2.370079
H 3.448011 -2.602199 -1.050963
H 3.518654 -0.846534 -1.493502
H 5.824847 -1.774011 -0.983432
H 5.247153 -2.266393 0.639771
H 4.881240 0.253810 1.021264
H 7.679756 2.815594 -1.041990
H 8.724182 2.056526 0.196573
H 8.540189 4.564407 0.596774
H 7.803480 3.655093 1.953078
H 6.758937 4.415311 0.714104


