%chk=000043446.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000043446

0 1
 O   -1.022300       1.132800      0.9581000    
 O   -2.050600       1.847600     -0.9669000    
 N    2.183300      0.9687000     -9.9200003E-02
 N   -3.243400      0.8582000      0.7606000    
 C    2.912700     -0.3039000     -0.1005000    
 C   0.2446000       1.579600      0.4409000    
 C    1.504400       1.152100       1.206900    
 C   0.8497000      0.7779000     -0.7202000    
 C    3.567800     -0.5542000      -1.487200    
 C    4.043400     -0.2378000      0.9631000    
 C    1.984500      -1.410000      0.2269000    
 C    4.554700      0.5120000      -1.958500    
 C    4.901900      -1.496100       1.086700    
 C   -2.103600       1.328700      0.1432000    
 C    1.232700      -2.308500      0.4919000    
 C   -4.559000      0.9145000      0.1659000    
 C   -4.880400     -0.3301000     -0.6547000    
 C   -4.869100      -1.608300      0.1868000    
 C   -5.251400      -2.823300     -0.6440000    
 H   0.2308000       2.664000      0.2566000    
 H    1.336400      0.2908000       1.863700    
 H    1.942900       1.947100       1.821000    
 H   0.7618000       1.285400      -1.689600    
 H   0.3929000     -0.2044000     -0.8626000    
 H    4.061900      -1.533500      -1.515100    
 H    2.776500     -0.6258000      -2.247600    
 H    4.700900      0.6216000      0.7816000    
 H    3.619300     -7.0500001E-02   1.962400    
 H    4.876700      0.2886000      -2.981300    
 H    5.453000      0.5381000      -1.335600    
 H    4.102800       1.508100      -1.964900    
 H    5.607000      -1.377700       1.916900    
 H    5.496000      -1.674300      0.1863000    
 H    4.301200      -2.386200       1.293100    
 H   0.5649000      -3.103800      0.7269000    
 H   -3.150800      0.4456000       1.683900    
 H   -4.621000       1.802200     -0.4729000    
 H   -5.280000       1.034100      0.9814000    
 H   -5.868600     -0.2030000      -1.113100    
 H   -4.156700     -0.4288000      -1.473300    
 H   -5.571500      -1.509400       1.022500    
 H   -3.874400      -1.773900      0.6155000    
 H   -4.550100      -2.968600      -1.471900    
 H   -5.237500      -3.725600     -2.4599999E-02
 H   -6.257600      -2.713100      -1.060700    


%chk=000043446-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000043446

0 1
O -1.032080 0.909368 0.892306
O -2.194837 2.017708 -0.845565
N 2.193934 0.676822 -0.013727
N -3.302021 0.780513 0.822516
C 3.150957 -0.472552 0.016558
C 0.227375 1.417054 0.337163
C 1.440838 1.075463 1.239344
C 0.895405 0.568468 -0.786401
C 3.665394 -0.709896 -1.442582
C 4.300408 -0.091384 1.002618
C 2.473872 -1.719940 0.490041
C 4.438876 0.480174 -2.045325
C 5.424144 -1.139645 1.119289
C -2.199364 1.300689 0.188417
C 1.828428 -2.698153 0.879519
C -4.662998 0.974229 0.294529
C -5.134191 -0.161739 -0.644527
C -5.239164 -1.540875 0.043976
C -5.732065 -2.646806 -0.914260
H 0.116193 2.480138 0.073821
H 1.200492 0.220708 1.906751
H 1.901700 1.895763 1.813109
H 0.920547 0.997274 -1.800464
H 0.473118 -0.459158 -0.805877
H 4.290727 -1.621614 -1.447310
H 2.785910 -0.940146 -2.074983
H 4.706567 0.881548 0.670588
H 3.854448 0.073367 2.002783
H 4.648971 0.297656 -3.115107
H 5.408081 0.641516 -1.539151
H 3.851584 1.410233 -1.956398
H 6.158459 -0.830869 1.885308
H 5.969769 -1.265117 0.166546
H 5.020320 -2.125025 1.414166
H 1.291746 -3.565606 1.217344
H -3.141807 0.199668 1.645512
H -4.666570 1.932991 -0.252661
H -5.355610 1.067585 1.153191
H -6.126087 0.121242 -1.053015
H -4.441207 -0.222232 -1.506213
H -5.928797 -1.467173 0.910651
H -4.247316 -1.825462 0.449794
H -5.044950 -2.758717 -1.773787
H -5.798153 -3.625171 -0.404060
H -6.734347 -2.405997 -1.316028


