%chk=000001328.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000001328

0 1
 O    4.031700       1.298300     -0.4594000    
 O    1.812100      -2.800200      0.1085000    
 N    1.706700       1.310700     -0.3606000    
 N    2.950000     -0.7596000     -0.1754000    
 N  -0.7051000      -1.199000      3.2099999E-02
 N  -0.7326000       1.015700     -0.2220000    
 C   0.5544000      0.5489000     -0.2239000    
 C   0.5998000     -0.8098000     -6.9499999E-02
 C    2.972200      0.6723000     -0.3419000    
 C    1.799900      -1.580700     -3.1700000E-02
 C    1.616100       2.756600     -0.5224000    
 C   -1.469200     -6.4900003E-02 -6.5499999E-02
 C    4.242900      -1.435300     -0.1523000    
 C   -2.910100     -0.1075000      2.3000001E-03
 C    1.641800       3.467200      0.8151000    
 C    4.794100      -1.530700       1.255400    
 C   -3.615500      0.9802000      0.5165000    
 C   -3.596600      -1.236000     -0.4455000    
 C   -5.008200      0.9393000      0.5833000    
 C   -4.989300      -1.276700     -0.3789000    
 C   -5.695000     -0.1890000      0.1356000    
 H    2.463200       3.100300      -1.126900    
 H   0.7053000       3.009100      -1.077100    
 H   -1.033700      -2.146200      0.1681000    
 H    4.137900      -2.442900     -0.5700000    
 H    4.954400     -0.8981000     -0.7888000    
 H   0.7962000       3.163100       1.440800    
 H    2.561000       3.241100       1.365600    
 H    1.587400       4.550800      0.6723000    
 H    4.933900     -0.5371000       1.694000    
 H    4.116000      -2.089600       1.909000    
 H    5.762100      -2.041100       1.252500    
 H   -3.099700       1.868300      0.8738000    
 H   -3.078300      -2.095200     -0.8639000    
 H   -5.557900       1.785800      0.9844000    
 H   -5.524800      -2.153900     -0.7302000    
 H   -6.779400     -0.2206000      0.1869000    


%chk=000001328-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000001328

0 1
O 4.046093 1.353888 -0.347104
O 1.949562 -2.880061 -0.136984
N 1.707271 1.311182 -0.287542
N 2.988173 -0.745892 -0.263725
N -0.707549 -1.280441 -0.092561
N -0.750222 0.993050 -0.164149
C 0.557099 0.541304 -0.205810
C 0.621015 -0.860496 -0.163041
C 2.975869 0.681844 -0.299395
C 1.845316 -1.614443 -0.183279
C 1.636342 2.795033 -0.298816
C -1.514018 -0.144899 -0.096727
C 4.331746 -1.391975 -0.271688
C -2.978133 -0.159386 -0.033796
C 1.643798 3.387650 1.123295
C 4.931927 -1.495138 1.143627
C -3.673741 1.081430 -0.032960
C -3.723415 -1.369729 0.026518
C -5.080513 1.108174 0.027594
C -5.131677 -1.337270 0.086984
C -5.816664 -0.099461 0.087915
H 2.507915 3.153002 -0.870375
H 0.709611 3.067475 -0.831328
H -0.998709 -2.255796 -0.045184
H 4.192308 -2.394791 -0.707229
H 4.982644 -0.787043 -0.923092
H 0.779773 3.024913 1.706612
H 2.574673 3.120401 1.652149
H 1.584112 4.489679 1.068479
H 5.068605 -0.492544 1.583323
H 4.282959 -2.097135 1.802916
H 5.920529 -1.986529 1.093994
H -3.088797 2.004959 -0.080084
H -3.219174 -2.344130 0.026233
H -5.605502 2.069499 0.027837
H -5.694793 -2.275574 0.132964
H -6.910735 -0.077147 0.134731


