%chk=000176667.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000176667

0 1
 O   -2.912800     -0.2520000       1.791700    
 O    1.597800       1.469200       1.797900    
 N    1.265700       1.538600     -0.4994000    
 N   -1.944600      0.6868000       2.126300    
 C    2.555500       1.015500     -0.8875000    
 C    2.787300     -0.4033000     -0.3510000    
 C    3.628100       1.973500     -0.3368000    
 C    2.612000       1.017900      -2.426300    
 C   0.8924000       1.723000      0.8246000    
 C  -0.5267000       2.274200      0.9557000    
 C   -1.559900       1.225200      0.9652000    
 C    4.073300     -0.7925000     -6.4099997E-02
 C    1.699200      -1.224600     -0.1804000    
 C   -2.244400      0.6736000     -0.1350000    
 C   -3.089900     -0.2577000      0.4423000    
 C   -3.974600      -1.061700     -0.2704000    
 C    4.284200      -2.082200      0.4234000    
 C    1.910100      -2.514300      0.3072000    
 C   -2.260500      0.8373000      -1.528000    
 C    3.202600      -2.943200      0.6092000    
 C   -3.980300     -0.8877000      -1.658300    
 C   -3.140200      4.3600000E-02  -2.277700    
 C   -4.874500      -2.059300      0.3714000    
 H   0.6019000       1.777000      -1.230600    
 H    3.349000       3.017300     -0.5326000    
 H    3.783100       1.884500      0.7440000    
 H    4.600000       1.831900     -0.8241000    
 H    2.464200       2.027400      -2.828000    
 H    1.831100      0.3781000      -2.855400    
 H    3.576700      0.6485000      -2.793100    
 H  -0.5644000       2.863900       1.880500    
 H  -0.7110000       2.987500      0.1428000    
 H    4.945700     -0.1692000     -0.2165000    
 H   0.6866000     -0.9277000     -0.4313000    
 H    5.291100      -2.418900      0.6527000    
 H    1.068500      -3.186900      0.4460000    
 H   -1.617600       1.557500      -2.023800    
 H    3.367200      -3.948400      0.9861000    
 H   -4.648000      -1.484200      -2.276600    
 H   -3.169200      0.1551000      -3.358700    
 H   -4.755500      -2.074500       1.459400    
 H   -5.920600      -1.821700      0.1525000    
 H   -4.654200      -3.064100     -3.5000001E-03


%chk=000176667-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000176667

0 1
O -2.721500 -0.822218 -1.190556
O 2.123007 2.014019 0.103961
N 1.358630 -0.017937 -0.766651
N -1.355971 -0.370812 -0.858429
C 2.696105 -0.577212 -1.131801
C 3.551679 -0.781013 0.143963
C 3.371700 0.341012 -2.181855
C 2.419516 -1.968618 -1.769906
C 1.180522 1.213369 -0.187196
C -0.267588 1.639699 0.165348
C -1.463775 0.858253 -0.317752
C 4.933124 -0.475555 0.189435
C 2.954289 -1.363358 1.292480
C -2.851609 1.284772 -0.254425
C -3.594806 0.211846 -0.805580
C -5.000157 0.195950 -0.944886
C 5.697021 -0.741964 1.349213
C 3.711594 -1.629829 2.452148
C -3.523391 2.446329 0.203386
C 5.091944 -1.321917 2.485673
C -5.640476 1.368014 -0.478652
C -4.925309 2.468829 0.082191
C -5.737350 -0.980958 -1.543939
H 0.515235 -0.573208 -0.987510
H 2.685912 0.481402 -3.036062
H 3.600973 1.326734 -1.746728
H 4.300443 -0.116428 -2.566455
H 1.802330 -1.862457 -2.681565
H 1.897240 -2.636817 -1.061765
H 3.373152 -2.448269 -2.047125
H -0.302808 1.693114 1.272427
H -0.362806 2.686765 -0.177729
H 5.421935 -0.008465 -0.670748
H 1.881902 -1.593408 1.282178
H 6.763420 -0.488643 1.365567
H 3.227529 -2.074435 3.329513
H -2.977064 3.291085 0.634053
H 5.683312 -1.525129 3.385663
H -6.732491 1.428446 -0.554093
H -5.486461 3.345273 0.422555
H -5.547601 -1.905784 -0.968645
H -6.824788 -0.800538 -1.560760
H -5.402167 -1.176941 -2.579142


