%chk=000176928.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000176928

0 1
 O   0.1274000      0.3747000     -0.3227000    
 O   0.6128000      -1.836200      9.6500002E-02
 N   -3.719300      0.8420000      0.9955000    
 C   -3.564500       1.168900     -0.4330000    
 C   -3.263100     -0.5576000       1.059600    
 C   -4.175600     -4.9899999E-02  -1.124400    
 C   -3.974500      -1.197900     -0.1324000    
 C   -2.064200       1.336100     -0.7208000    
 C   -1.732500     -0.5637000      0.9220000    
 C   -1.260800      7.2600000E-02 -0.3915000    
 C   0.9556000     -0.6762000     -7.1599998E-02
 C    2.371000     -0.2301000     -2.3499999E-02
 C    3.361700      -1.113500     -0.4005000    
 C    2.651800       1.054100      0.3962000    
 C    4.691400     -0.6946000     -0.3556000    
 C    3.981500       1.472900      0.4411000    
 C    5.001300      0.5986000      6.5099999E-02
 H   -4.100900       2.087900     -0.6888000    
 H   -3.558500      -1.025700       2.003800    
 H   -3.717300     -0.2614000      -2.095900    
 H   -5.249400      0.1013000      -1.288600    
 H   -4.953300      -1.589000      0.1705000    
 H   -3.407400      -2.025100     -0.5714000    
 H   -1.908200       1.595900      -1.775300    
 H   -1.666400       2.185200     -0.1484000    
 H   -1.279000     -4.0600002E-02   1.774900    
 H   -1.414000      -1.606700       1.005100    
 H   -1.404500     -0.6413000      -1.213600    
 H   -3.131800       1.442800       1.571800    
 H    3.132700      -2.121600     -0.7331000    
 H    1.877700       1.749300      0.7070000    
 H    5.485500      -1.375000     -0.6491000    
 H    4.223400       2.478800      0.7717000    
 H    6.036600      0.9246000      0.1006000    


%chk=000176928-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000176928

0 1
O 0.116170 0.353857 -0.038130
O 0.693133 -1.787140 -0.777925
N -3.965953 0.881922 0.933871
C -3.593690 1.160873 -0.486527
C -3.446019 -0.504697 1.147243
C -4.137900 -0.117521 -1.191436
C -4.037388 -1.236987 -0.094578
C -2.045630 1.309516 -0.641637
C -1.883492 -0.520714 1.155490
C -1.342331 0.019201 -0.184466
C 1.034228 -0.647143 -0.369435
C 2.445783 -0.193579 -0.189575
C 3.484678 -1.096778 -0.534909
C 2.766194 1.096192 0.308598
C 4.832902 -0.712640 -0.385780
C 4.117005 1.475097 0.459034
C 5.151685 0.573706 0.111965
H -4.092547 2.079399 -0.841660
H -3.827481 -0.916837 2.097664
H -3.561282 -0.360166 -2.102016
H -5.188101 0.038522 -1.488778
H -5.038155 -1.632524 0.145635
H -3.404237 -2.085936 -0.408284
H -1.771880 1.536840 -1.689203
H -1.700034 2.157611 -0.017863
H -1.521133 0.121992 1.982298
H -1.498008 -1.542556 1.329652
H -1.412625 -0.767157 -0.957574
H -3.575319 1.568674 1.598650
H 3.212209 -2.086382 -0.916472
H 1.956693 1.783226 0.569653
H 5.633184 -1.410210 -0.655386
H 4.364768 2.470086 0.844624
H 6.199775 0.871852 0.228455


