%chk=000158579.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000158579

0 1
 O    5.612800     -0.7231000     -3.0000001E-04
 O    4.607200       1.328400     -3.9999999E-04
 N    1.021500      -1.096000      3.1000001E-03
 N    1.648800       1.036200      9.9999997E-05
 N    3.357400     -0.6624000      1.3000000E-03
 C  -0.1430000     -0.3718000      1.7000000E-03
 C   0.2751000      0.9559000     -9.9999997E-05
 C   -2.431900      0.2771000      9.9999997E-05
 C   -1.485400     -0.7527000      1.9000000E-03
 C   -3.841000     -5.6600001E-02 -3.0000001E-04
 C  -0.6893000       1.977700     -2.0000001E-03
 C   -2.043100       1.618800     -1.8000000E-03
 C    2.063400     -0.2109000      2.0000001E-03
 C   -4.519300     -0.2145000       1.207600    
 C   -4.517900     -0.2191000      -1.208400    
 C   -5.876600     -0.5356000       1.207400    
 C   -5.875300     -0.5401000      -1.208500    
 C   -6.554700     -0.6984000     -5.0000002E-04
 C    4.522300      0.1066000      9.9999997E-05
 C    6.893200     -8.0600001E-02 -1.3000000E-03
 C    7.975700      -1.138800     -1.6000000E-03
 H   -1.769800      -1.800100      3.1999999E-03
 H    1.096500      -2.104400      4.4000000E-03
 H  -0.3972000       3.023000     -3.5000001E-03
 H   -2.789300       2.411200     -3.3000000E-03
 H   -4.005900     -9.0999998E-02   2.158300    
 H   -4.003400     -9.9299997E-02  -2.159000    
 H    3.480800      -1.671800      2.0000001E-03
 H   -6.405800     -0.6588000       2.147900    
 H   -6.403500     -0.6669000      -2.149000    
 H   -7.611500     -0.9485000     -6.0000003E-04
 H    6.986600      0.5447000     -0.8960000    
 H    6.987700      0.5453000      0.8929000    
 H    8.969300     -0.6819000     -2.3000001E-03
 H    7.883900      -1.784300      0.8781000    
 H    7.882800      -1.784900     -0.8808000    


%chk=000158579-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000158579

0 1
O 5.683590 -0.722796 0.000024
O 4.721348 1.432602 -0.000234
N 1.076166 -1.074736 -0.000142
N 1.687567 1.138247 -0.001903
N 3.442364 -0.584462 -0.000447
C -0.132179 -0.349019 -0.000684
C 0.274327 1.028871 -0.001774
C -2.460618 0.279734 -0.000927
C -1.480988 -0.745598 -0.000276
C -3.922044 -0.076036 -0.000245
C -0.708120 2.042128 -0.002480
C -2.064521 1.653639 -0.002023
C 2.121027 -0.125760 -0.000908
C -4.626006 -0.243504 1.221542
C -4.626109 -0.248228 -1.221318
C -6.000189 -0.575701 1.222974
C -6.000296 -0.580421 -1.221330
C -6.692112 -0.745934 0.001174
C 4.608356 0.193201 -0.000082
C 7.036855 -0.103646 0.000163
C 8.047010 -1.247042 0.000492
H -1.785895 -1.797603 0.000618
H 1.163725 -2.089377 0.000845
H -0.413230 3.095602 -0.003315
H -2.847246 2.420107 -0.002515
H -4.091002 -0.108562 2.168802
H -4.091206 -0.116909 -2.169144
H 3.610330 -1.591979 -0.000299
H -6.528677 -0.699796 2.175308
H -6.528884 -0.708167 -2.173128
H -7.757620 -1.002865 0.001713
H 7.128718 0.539979 -0.894166
H 7.128418 0.540214 0.894354
H 9.072774 -0.834913 0.000609
H 7.927578 -1.879308 0.897014
H 7.927889 -1.879564 -0.895889


