%chk=000019318.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000019318

0 1
 O    3.443900       1.324600     -3.7000000E-03
 O    3.694400     -0.8563000     -4.9999999E-03
 N   -2.618300     -0.4761000      8.0000004E-03
 N    2.965100      0.1647000     -3.3000000E-03
 C   -1.217200     -0.3153000      5.4000001E-03
 C   -3.526900      0.6283000      1.0500000E-02
 C  -0.6621000      0.9643000      5.1000002E-03
 C  -0.3866000      -1.435900      2.7999999E-03
 C    1.554400      2.7999999E-03 -3.0000001E-04
 C   0.7236000       1.123300      2.2000000E-03
 C   0.9993000      -1.277000       0.000000    
 C   -4.969500      0.1526000     -2.1900000E-02
 H   -3.386500       1.239100      0.9101000    
 H   -3.361300       1.265500     -0.8663000    
 H   -2.978500      -1.424100      1.3000000E-02
 H   -1.271400       1.863100      8.2999999E-03
 H  -0.8071000      -2.438300      3.0000000E-03
 H    1.121300       2.135100      2.3000001E-03
 H    1.615300      -2.172600     -1.9000000E-03
 H   -5.165600     -0.4438000     -0.9193000    
 H   -5.196500     -0.4704000      0.8498000    
 H   -5.654400       1.006200     -2.0900000E-02


%chk=000019318-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000019318

0 1
O 3.529062 1.340853 0.003555
O 3.755249 -0.933552 -0.000782
N -2.615658 -0.447722 0.000988
N 3.030208 0.142895 0.000796
C -1.241274 -0.286134 0.001795
C -3.587308 0.655288 0.003819
C -0.638933 1.013463 0.004781
C -0.387759 -1.438335 -0.000844
C 1.574557 -0.003412 0.001219
C 0.755738 1.150300 0.004269
C 1.003036 -1.301355 -0.001099
C -5.024254 0.109606 -0.015745
H -3.438544 1.287516 0.903817
H -3.421237 1.304768 -0.880406
H -2.986888 -1.398456 0.004970
H -1.264642 1.909906 0.008202
H -0.835618 -2.439377 -0.003028
H 1.230002 2.135446 0.006550
H 1.663511 -2.172332 -0.003236
H -5.209253 -0.495904 -0.921685
H -5.226618 -0.515617 0.873102
H -5.747976 0.941955 -0.013137


