%chk=000137962.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000137962

0 1
 O   0.5340000      0.8519000      -2.188100    
 N    2.215700      0.1162000      1.4800000E-02
 N   -2.145300     -9.5899999E-02  0.1660000    
 C  -7.9999998E-04  0.1638000      -1.055200    
 C   0.8223000      0.5216000      0.1879000    
 C   -1.469100      0.5833000     -0.9309000    
 C    3.022000      0.5544000       1.153800    
 C    2.310400      -1.334300     -0.1496000    
 C   -3.543900      0.3296000      0.2539000    
 C   -2.067500      -1.549000      6.9999998E-04
 C    2.936200       2.059700       1.340700    
 C    3.746300      -1.766600     -0.3932000    
 C   -3.649900       1.835300      0.4259000    
 C   -2.710400      -2.270000       1.173300    
 H   3.4299999E-02 -0.8896000      -1.328200    
 H   0.3936000      6.7199998E-02   1.089400    
 H   0.7461000       1.608800      0.2905000    
 H   -1.465800       1.671000     -0.7945000    
 H   -1.978200      0.4034000      -1.888400    
 H    2.727900      5.0999999E-02   2.083400    
 H    4.081300      0.3382000      0.9811000    
 H    1.901500      -1.873100      0.7144000    
 H    1.772300      -1.678200      -1.035300    
 H   -4.123200      1.7999999E-02 -0.6244000    
 H   -4.023100     -0.1032000       1.137900    
 H   -2.523900      -1.882200     -0.9397000    
 H   -1.030100      -1.894200      8.2999999E-03
 H    1.470000      0.6002000      -2.266800    
 H    3.733600       2.388900       2.017000    
 H    1.994300       2.372800       1.801900    
 H    3.071100       2.597600      0.3959000    
 H    3.763300      -2.807500     -0.7365000    
 H    4.354700      -1.730500      0.5157000    
 H    4.227100      -1.160400      -1.168700    
 H   -4.670200       2.097500      0.7284000    
 H   -3.454400       2.378400     -0.5040000    
 H   -2.975300       2.205200       1.205700    
 H   -2.438200      -3.331400       1.145600    
 H   -3.803500      -2.229600       1.141500    
 H   -2.366400      -1.871000       2.133800    


%chk=000137962-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000137962

0 1
O 0.819947 0.444390 -2.006818
N 2.163260 0.049067 0.269468
N -2.331081 -0.299054 -0.080266
C 0.022980 -0.193959 -0.956485
C 0.677700 0.139135 0.413248
C -1.419069 0.328326 -1.075436
C 2.900742 1.056353 1.086755
C 2.667459 -1.344922 0.452735
C -3.439423 0.602434 0.337223
C -2.821765 -1.632181 -0.530464
C 2.836672 2.473108 0.486397
C 4.006598 -1.601884 -0.262863
C -2.981043 1.723866 1.288688
C -3.229388 -2.550016 0.638273
H 0.031922 -1.298556 -1.104790
H 0.279149 -0.522584 1.210105
H 0.417739 1.179211 0.681000
H -1.388984 1.420701 -0.913228
H -1.765975 0.171294 -2.124598
H 2.522497 1.068806 2.137301
H 3.958314 0.739884 1.135628
H 2.757333 -1.594093 1.537964
H 1.904989 -2.027365 0.033738
H -3.957259 1.048792 -0.550227
H -4.193031 -0.013306 0.861262
H -3.676135 -1.528533 -1.247410
H -2.004829 -2.119984 -1.093506
H 1.740576 0.472354 -1.584097
H 3.403000 3.182761 1.117746
H 1.798798 2.843498 0.411775
H 3.270542 2.480866 -0.528839
H 4.318996 -2.653596 -0.124597
H 4.817382 -0.960502 0.127440
H 3.906310 -1.405370 -1.344784
H -3.844695 2.338309 1.605234
H -2.251189 2.399282 0.807119
H -2.506202 1.290001 2.186247
H -3.557431 -3.536271 0.259545
H -4.062396 -2.124722 1.226600
H -2.374209 -2.698240 1.320916


