%chk=000029554.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000029554

0 1
 O    4.471500      -1.872800     -1.1000000E-03
 N    3.382300      0.2175000      3.0000001E-04
 C  -0.2849000      0.4285000     -8.9999998E-04
 C  -0.6637000     -0.9066000     -1.2000001E-03
 C   -1.405400       1.247700     -3.9999999E-04
 C   -2.119300     -0.9563000     -5.0000002E-04
 C   -2.583000      0.3910000      9.9999997E-05
 C    1.032400      0.8819000     -8.9999998E-04
 C    2.025300     -0.1172000     -1.1000000E-03
 C   0.3140000      -1.883800     -1.1000000E-03
 C   -1.236100       2.619600     -3.0000001E-04
 C    1.200000       2.280400     -5.0000002E-04
 C    1.661600      -1.481400     -1.1000000E-03
 C   -3.004800      -2.017000     -9.9999997E-05
 C   -3.933600      0.6826000      1.1000000E-03
 C   7.3700003E-02   3.131500     -3.0000001E-04
 C   -4.371300      -1.722300      1.3000000E-03
 C   -4.829500     -0.3903000      1.8000000E-03
 C    4.483900     -0.6461000      1.8000000E-03
 C    5.787000      0.1130000      3.0000000E-03
 H   5.9599999E-02  -2.938700     -8.9999998E-04
 H   -2.084500       3.295800       0.000000    
 H    2.186200       2.735300     -5.0000002E-04
 H    2.371700      -2.296500     -7.9999998E-04
 H   -2.663600      -3.046200     -3.9999999E-04
 H   -4.297800       1.703900      1.6000000E-03
 H   0.2233000       4.208700     -9.9999997E-05
 H   -5.094600      -2.533800      1.9000000E-03
 H   -5.899100     -0.1956000      2.7999999E-03
 H    3.596500       1.210800      8.9999998E-04
 H    5.860200      0.7233000     -0.9015000    
 H    6.624900     -0.5892000      2.6799999E-02
 H    5.840300      0.7579000      0.8847000    


%chk=000029554-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000029554

0 1
O 4.575850 -1.860983 0.002095
N 3.425660 0.190917 0.002793
C -0.294895 0.386231 0.001102
C -0.703272 -0.985955 0.000733
C -1.431732 1.261527 0.000666
C -2.184020 -0.984426 0.000062
C -2.630539 0.389742 0.000035
C 1.050954 0.829206 0.001780
C 2.065035 -0.213516 0.002041
C 0.296745 -1.963681 0.001067
C -1.214916 2.643087 0.000907
C 1.244349 2.254299 0.002036
C 1.673282 -1.571723 0.001732
C -3.122448 -2.033737 -0.000481
C -4.004337 0.693692 -0.000561
C 0.137520 3.121334 0.001611
C -4.505092 -1.717969 -0.001034
C -4.942143 -0.370129 -0.001090
C 4.585373 -0.597097 0.002159
C 5.877194 0.222470 -0.001380
H 0.059394 -3.033154 0.000902
H -2.042332 3.360763 0.000619
H 2.246391 2.702882 0.002518
H 2.455279 -2.333039 0.002261
H -2.798041 -3.080180 -0.000432
H -4.352570 1.732697 -0.000602
H 0.313011 4.203052 0.001799
H -5.245528 -2.525687 -0.001432
H -6.015287 -0.149413 -0.001539
H 3.584332 1.200247 0.003054
H 5.953868 0.846143 -0.911512
H 6.730344 -0.470346 0.022844
H 5.935773 0.888346 0.879646


