%chk=000176547.chk
%nprocshared=4
%mem=7500MB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000176547

0 1
 O    2.812500      0.8442000      -1.397600    
 N    5.191800       1.253100      0.1891000    
 C   0.2326000      0.5419000     -0.1389000    
 C   -1.699400     -0.9328000      -1.195300    
 C   0.2947000      0.5640000      -1.705000    
 C  -0.8434000     -0.3045000      -2.320500    
 C   -1.186400       1.029500      0.2135000    
 C   0.3066000     -0.9491000      0.2448000    
 C    1.361000       1.402400      0.4368000    
 C   -2.213800      0.2316000     -0.3603000    
 C  -0.7337000      -1.729800     -0.3294000    
 C    2.742900      0.8849000      2.8500000E-02
 C   -1.526300       2.117200       1.011200    
 C    1.246800      -1.557900       1.069700    
 C   -3.555000      0.5208000     -0.1410000    
 C  -0.8270000      -3.094200     -8.3899997E-02
 C    3.878900       1.779400      0.5369000    
 C   -2.876500       2.406900       1.228700    
 C    1.151500      -2.931100       1.313600    
 C   -3.881800       1.616200      0.6574000    
 C   0.1241000      -3.692600      0.7416000    
 H   -2.510300      -1.550300      -1.593800    
 H    1.158500      5.9700001E-02  -2.131800    
 H   0.2429000       1.584200      -2.104500    
 H   -1.467300      0.3262000      -2.966900    
 H  -0.4183000      -1.088800      -2.960800    
 H    1.302600       1.434800       1.532400    
 H    1.246200       2.435400      8.0899999E-02
 H    2.983200     -0.1213000      0.3450000    
 H  -0.7707000       2.746400       1.469200    
 H    1.973100      -1.010800       1.656200    
 H   -4.338100     -9.0099998E-02 -0.5779000    
 H   -1.623500      -3.688200     -0.5200000    
 H    3.793200       2.783700      0.1069000    
 H    3.818500       1.880000       1.625900    
 H   -3.150500       3.255600       1.849900    
 H    1.862900      -3.409300       1.981900    
 H   -4.925200       1.858500      0.8404000    
 H   6.3500002E-02  -4.757000      0.9516000    
 H    2.786100       1.760300      -1.724400    
 H    5.251000       1.129200     -0.8211000    
 H    5.304100      0.3225000      0.5900000    


%chk=000176547-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000176547

0 1
O 3.067255 1.687337 -1.535604
N 5.276348 1.264320 0.327476
C 0.228895 0.478750 -0.255469
C -1.766743 -1.019416 -1.162273
C 0.225990 0.432270 -1.842108
C -0.934766 -0.464110 -2.376521
C -1.174027 0.997422 0.129924
C 0.278297 -0.988592 0.219232
C 1.371030 1.361818 0.295810
C -2.237957 0.194071 -0.370041
C -0.789085 -1.786881 -0.281938
C 2.797187 1.049221 -0.219959
C -1.470692 2.153305 0.881340
C 1.229768 -1.571714 1.082701
C -3.578539 0.547474 -0.127318
C -0.885836 -3.150584 0.053210
C 3.895752 1.490927 0.786886
C -2.820194 2.506564 1.132423
C 1.129720 -2.942223 1.427572
C -3.872217 1.709170 0.628764
C 0.080053 -3.733618 0.909698
H -2.604705 -1.648744 -1.508207
H 1.205127 0.066820 -2.190841
H 0.121997 1.468296 -2.212486
H -1.603123 0.113429 -3.040198
H -0.535642 -1.314586 -2.958060
H 1.367692 1.296652 1.403531
H 1.151354 2.422903 0.054492
H 2.919371 -0.025545 -0.442792
H -0.670160 2.782082 1.285273
H 2.043252 -0.974170 1.507827
H -4.390330 -0.077740 -0.517958
H -1.712757 -3.754288 -0.339419
H 3.760920 2.572325 1.002334
H 3.751394 0.960187 1.748293
H -3.047553 3.400835 1.723900
H 1.868273 -3.388659 2.103153
H -4.913679 1.986152 0.827562
H 0.007461 -4.793271 1.179134
H 2.823713 2.647239 -1.469218
H 5.418492 1.622047 -0.625379
H 5.570664 0.283326 0.394251


