%chk=000178894.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000178894

0 1
 O   -3.106500       2.102800     -0.6003000    
 O   -3.109400      -3.638000     -3.9799999E-02
 O   -4.461400      0.6717000      0.5116000    
 O   -4.583600      -1.921300     -2.5100000E-02
 N  -0.2355000     -0.8724000     -5.2999998E-03
 N   -1.032200      -1.954700     -1.8300001E-02
 C  -0.9119000      0.3149000      6.6999998E-03
 C    1.150300      -1.040300     -4.8000002E-03
 C   -2.246600     -2.0199999E-02  6.0000003E-04
 C  -0.2755000       1.609500      2.2500001E-02
 C   -2.259600      -1.427800     -1.4600000E-02
 C    3.906500      -1.375400     -4.0000002E-03
 C    1.827600      -1.136100       1.203300    
 C    1.831500      -1.109700      -1.212500    
 C    3.212400      -1.304300       1.203700    
 C    3.216100      -1.278100      -1.212100    
 C    5.386900      -1.555600     -3.7000000E-03
 C   3.0400001E-02   2.222400       1.237500    
 C   3.2900002E-02   2.248800      -1.178200    
 C   -3.349200      0.8965000      8.5000005E-03
 C    6.134100     -0.2246000      1.1600000E-02
 C   -3.402200      -2.297700     -2.6500000E-02
 C   0.6447000       3.474700       1.251900    
 C   0.6473000       3.501000      -1.163900    
 C   0.9531000       4.113900      5.1199999E-02
 H    1.297900      -1.081700       2.150900    
 H    1.304900      -1.034800      -2.160300    
 H    3.738900      -1.376800       2.151600    
 H    3.745600      -1.330100      -2.159800    
 H    5.691100      -2.153600      0.8644000    
 H    5.693700      -2.135000     -0.8836000    
 H  -0.2037000       1.737400       2.182300    
 H  -0.1988000       1.784600      -2.134000    
 H    5.885800      0.3791000     -0.8679000    
 H    7.214800     -0.3979000      1.1300000E-02
 H    5.883100      0.3601000      0.9031000    
 H   0.8831000       3.951900       2.197900    
 H   0.8876000       3.998800      -2.098800    
 H    1.431500       5.088800      6.2300000E-02
 H   -3.891700       2.689900     -0.5652000    
 H   -3.923300      -4.185700     -4.7300000E-02


%chk=000178894-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000178894

0 1
O -3.535872 1.759844 -1.144469
O -3.151013 -3.447602 1.076183
O -4.435728 0.768361 0.751786
O -4.516983 -2.145979 -0.284403
N -0.186633 -0.756248 0.049378
N -0.979671 -1.875389 0.284244
C -0.940859 0.405592 -0.179361
C 1.242221 -0.947227 0.011115
C -2.291522 -0.003364 -0.094442
C -0.337032 1.754165 -0.289189
C -2.258184 -1.407650 0.205421
C 4.044558 -1.415817 -0.064039
C 1.822344 -1.883426 0.897751
C 2.043884 -0.259461 -0.928763
C 3.212437 -2.109242 0.853211
C 3.433755 -0.494067 -0.953006
C 5.550780 -1.628988 -0.070348
C 0.558519 2.211319 0.716947
C -0.645602 2.607677 -1.380561
C -3.508995 0.835752 -0.085133
C 6.285085 -0.664729 0.901056
C -3.417422 -2.325101 0.287726
C 1.135771 3.494731 0.628906
C -0.060235 3.889653 -1.467759
C 0.831450 4.337690 -0.466230
H 1.178693 -2.432661 1.590230
H 1.590900 0.437365 -1.639177
H 3.658044 -2.840100 1.538497
H 4.051541 0.037282 -1.686663
H 5.783772 -2.672559 0.214669
H 5.947063 -1.479823 -1.092730
H 0.791239 1.565218 1.570497
H -1.345183 2.264512 -2.147041
H 6.096375 0.389311 0.627955
H 7.376411 -0.837830 0.875518
H 5.937431 -0.810433 1.939842
H 1.817838 3.837621 1.414320
H -0.302847 4.537874 -2.316840
H 1.282156 5.333979 -0.535024
H -4.366110 2.304523 -1.061289
H -3.951675 -4.039775 1.058115


