%chk=000176516.chk
%nprocshared=4
%mem=3800MB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000176516

0 1
 O   -1.685400     -0.1083000      0.3364000    
 O   -1.591700       2.045700     -0.4399000    
 O  -6.7199998E-02  -2.790800     -0.5686000    
 N   0.3035000       1.017500      0.3971000    
 C    1.246000       2.083000      0.1002000    
 C    1.008600     -0.1136000      0.9875000    
 C    2.265500       1.976800       1.231600    
 C    2.205600      0.5209000       1.711100    
 C    1.844200       1.887200      -1.302100    
 C    1.424600      -1.032200     -0.1337000    
 C    2.745100      0.6582000      -1.508700    
 C    2.167600     -0.6994000      -1.204200    
 C   -1.040000       1.066500      5.7200000E-02
 C   0.9944000      -2.435200     -5.7300001E-02
 C   -3.079800     -0.1507000      1.3800000E-02
 C    1.894800      -3.410800      0.6534000    
 C   -3.239400      9.0599999E-02  -1.486400    
 C   -3.597900      -1.536200      0.3935000    
 C   -3.798500      0.9309000      0.8191000    
 H   0.7293000       3.049300      0.1256000    
 H   0.3525000     -0.6356000       1.693000    
 H    1.959200       2.629000       2.059400    
 H    3.274200       2.284800      0.9396000    
 H    3.148500     -6.0000001E-03   1.527600    
 H    2.043300      0.5034000       2.795600    
 H    2.435800       2.777800      -1.550600    
 H    1.027700       1.846900      -2.035500    
 H    3.682000      0.7731000     -0.9506000    
 H    3.038100      0.6549000      -2.567100    
 H    2.419000      -1.473300      -1.928400    
 H    2.760300      -2.902100       1.087400    
 H    2.248900      -4.159600     -5.9700001E-02
 H    1.336400      -3.891900       1.460600    
 H   -2.502200     -0.4861000      -2.057200    
 H   -4.237400     -0.2193000      -1.818900    
 H   -3.140700       1.134700      -1.793500    
 H   -3.435800      -1.732400       1.459600    
 H   -3.053800      -2.316700     -0.1507000    
 H   -4.666000      -1.645600      0.1795000    
 H   -3.663700       1.947000      0.4403000    
 H   -4.880900      0.7555000      0.8138000    
 H   -3.463700      0.9291000       1.863000    


%chk=000176516-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000176516

0 1
O -1.515223 -0.115166 0.376675
O -1.457432 2.117832 -0.436831
O 1.436355 -3.228823 -1.347950
N 0.445962 1.061647 0.400164
C 1.366811 2.177197 0.081896
C 1.205349 -0.129762 0.847823
C 2.449328 2.022156 1.185273
C 2.451649 0.504611 1.567442
C 1.904036 2.055753 -1.368318
C 1.584950 -1.026083 -0.339773
C 2.829390 0.840229 -1.654474
C 2.275123 -0.553690 -1.426595
C -0.888514 1.105717 0.065003
C 1.216994 -2.491515 -0.339154
C -3.005198 -0.285716 0.102923
C 0.576424 -3.086746 0.911080
C -3.270492 -0.141927 -1.409446
C -3.257104 -1.727938 0.577992
C -3.803909 0.729787 0.945196
H 0.810983 3.126042 0.168227
H 0.583861 -0.690442 1.559488
H 2.171239 2.634531 2.060040
H 3.439203 2.366646 0.836784
H 3.378256 -0.001208 1.248156
H 2.364424 0.379084 2.659971
H 2.472065 2.977567 -1.605105
H 1.034174 2.029786 -2.050859
H 3.753265 0.944943 -1.042467
H 3.167412 0.913524 -2.704818
H 2.485053 -1.301515 -2.205993
H 1.210856 -2.928551 1.803945
H 0.431193 -4.167142 0.757857
H -0.400828 -2.609473 1.109576
H -2.624643 -0.832740 -1.980233
H -4.324137 -0.399308 -1.623487
H -3.080186 0.888850 -1.745897
H -3.001689 -1.837322 1.646845
H -2.653168 -2.442846 -0.007820
H -4.323679 -1.983626 0.446453
H -3.586081 1.760387 0.625001
H -4.885857 0.538509 0.821801
H -3.555215 0.623741 2.016411


