%chk=000176467.chk
%nprocshared=4
%mem=3800MB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000176467

0 1
 O   -1.230700      0.7492000     -0.9828000    
 O   -2.017800      -1.774200      -1.251300    
 N   -3.178700      -2.544500      0.6038000    
 N   -2.767900      -3.849900      0.4132000    
 C    3.612700      0.1147000     -0.4087000    
 C    4.906000      0.5561000      0.2824000    
 C    2.389100      0.9331000      9.8000001E-03
 C    6.115500     -0.3087000     -7.9599999E-02
 C    1.125300      0.4362000     -0.6906000    
 C    7.360600      0.1306000      0.6925000    
 C  -9.1100000E-02   1.269800     -0.3129000    
 C    8.557300     -0.7486000      0.3663000    
 C   -2.441500      0.9112000     -0.3608000    
 C   -3.215600     -0.1925000     -2.2000000E-03
 C   -2.896400       2.200900     -8.5900001E-02
 C   -4.444200     -6.3000000E-03  0.6314000    
 C   -4.124900       2.387000      0.5478000    
 C   -4.898800       1.283500      0.9065000    
 C   -2.759000      -1.547400     -0.2789000    
 H    3.745300      0.1867000      -1.495300    
 H    3.430500     -0.9433000     -0.1818000    
 H    5.114700       1.601200      2.2100000E-02
 H    4.754800      0.5250000       1.368700    
 H    2.557000       1.989000     -0.2337000    
 H    2.257800      0.8681000       1.096600    
 H    6.303700     -0.2441000      -1.157900    
 H    5.894600      -1.358600      0.1481000    
 H   0.9396000     -0.6149000     -0.4363000    
 H    1.257900      0.4625000      -1.779400    
 H    7.166700      8.5000001E-02   1.770500    
 H    7.600500       1.172200      0.4495000    
 H   5.5700000E-02   2.311800     -0.6194000    
 H  -0.2308000       1.240900      0.7756000    
 H    8.360800      -1.792600      0.6302000    
 H    9.436200     -0.4160000      0.9274000    
 H    8.797900     -0.7031000     -0.7006000    
 H   -2.309100       3.070800     -0.3670000    
 H   -5.090300     -0.8369000      0.9011000    
 H   -4.480700       3.391200      0.7588000    
 H   -5.858700       1.429300       1.393500    
 H   -3.736400      -2.354800       1.430100    
 H   -2.269700      -4.129000       1.257400    
 H   -3.610300      -4.422600      0.3812000    


%chk=000176467-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000176467

0 1
O -1.172367 0.020073 0.162763
O -2.675346 -2.046891 -1.456870
N -4.003394 -2.617483 0.362503
N -3.969758 -4.014684 0.102477
C 3.815074 -0.103807 0.102606
C 5.138439 0.693824 0.120168
C 2.561539 0.795608 0.191468
C 6.394492 -0.204732 0.066609
C 1.243572 -0.010459 0.134612
C 7.718147 0.593899 0.070474
C 0.016047 0.887797 0.294240
C 8.968036 -0.311617 0.028618
C -2.434220 0.610150 0.227750
C -3.543770 -0.256838 -0.004517
C -2.655499 1.975476 0.540087
C -4.855227 0.262167 0.111238
C -3.974486 2.472101 0.637850
C -5.080862 1.620757 0.430779
C -3.339347 -1.687262 -0.441500
H 3.764773 -0.711997 -0.824175
H 3.808869 -0.823438 0.947466
H 5.154228 1.396804 -0.739001
H 5.176821 1.321282 1.035527
H 2.582639 1.532685 -0.638288
H 2.602866 1.382804 1.133198
H 6.354199 -0.840191 -0.842834
H 6.385589 -0.900598 0.931626
H 1.232897 -0.777104 0.932971
H 1.165865 -0.548719 -0.828571
H 7.753774 1.234568 0.975429
H 7.729507 1.283381 -0.798383
H -0.013094 1.670058 -0.492595
H 0.010316 1.381055 1.289307
H 8.996010 -0.988080 0.903742
H 9.900520 0.282363 0.030498
H 8.970238 -0.941624 -0.880963
H -1.812922 2.650127 0.714724
H -5.705767 -0.400909 -0.084325
H -4.132521 3.529368 0.878395
H -6.102038 2.007714 0.504115
H -4.448263 -2.336821 1.237759
H -2.993016 -4.342419 0.060637
H -4.444960 -4.220388 -0.788214


