%chk=000028135.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000028135

0 1
 O    2.640500       1.400200       1.968000    
 O    1.402500      -1.824200     -0.5906000    
 O  -0.3860000       2.805300      -1.721300    
 O   -1.778300     -0.9710000       1.803200    
 O    1.568300      -4.119900     -0.6403000    
 O   -5.878400      -1.595800       1.129800    
 N    4.607600      0.9127000     -0.1556000    
 N    1.622400       1.360800     -0.1927000    
 N   -3.804800      0.2077000      0.4417000    
 N    1.642600      -2.881100      -2.576100    
 C    3.508400      1.8300001E-02  0.2096000    
 C    2.278200      0.5613000      0.8716000    
 C    3.607100      0.6051000      -1.161700    
 C    2.441400       1.521600      -1.390200    
 C    1.144100     -0.4202000       1.324900    
 C   0.2589000       1.186700     -0.1422000    
 C  -8.3700001E-02  0.2320000      0.7202000    
 C    1.287100      -1.854300      0.8198000    
 C  -0.7239000       1.927500     -0.9348000    
 C   -1.481800     -0.1182000      0.9723000    
 C    3.113000      0.6371000       3.067100    
 C   -2.163300       1.558900     -0.7195000    
 C   -2.525100      0.6086000      0.1705000    
 C   -3.128300       2.340900      -1.570800    
 C    1.540100      -3.037100      -1.215900    
 C   -4.671000     -0.3836000     -0.5419000    
 C   -6.037700     -0.6793000      5.4900002E-02
 H    3.794000     -0.9982000      0.4183000    
 H    3.900900     -6.2000002E-03  -2.000200    
 H    5.453900      0.3706000     -0.3264000    
 H    1.896600       1.215500      -2.289800    
 H    2.762700       2.561900      -1.501500    
 H    1.000100     -0.4478000       2.407800    
 H    2.171700      -2.325400       1.263500    
 H   0.4099000      -2.449300       1.101500    
 H    3.847100       1.249700       3.600000    
 H    2.300300      0.4410000       3.772200    
 H    3.605300     -0.2981000       2.783200    
 H   -4.140600       2.349400      -1.156700    
 H   -3.162000       1.929000      -2.584200    
 H   -2.830800       3.393400      -1.635900    
 H   -3.922600     -0.1691000       1.380000    
 H   -4.806300      0.2625000      -1.413100    
 H   -4.218800      -1.319200     -0.8933000    
 H    1.615300      -1.962300      -3.005200    
 H    1.750200      -3.679000      -3.193200    
 H   -6.504500      0.2292000      0.4481000    
 H   -6.706500      -1.122700     -0.6889000    
 H   -5.487200      -2.409000      0.7674000    


%chk=000028135-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000028135

0 1
O 2.289228 1.276981 2.046115
O 1.285629 -2.267903 -0.668826
O -0.327338 2.435061 -2.060937
O -1.987291 -1.499039 1.434132
O 3.445421 -3.235904 -0.636358
O -6.218229 -1.464745 1.130235
N 4.518684 1.015559 0.209100
N 1.503606 1.180804 -0.171466
N -3.845988 -0.179415 0.152818
N 2.203700 -2.984386 -2.611253
C 3.462404 -0.089813 0.264900
C 2.134194 0.356000 0.904510
C 3.658545 0.719327 -1.008130
C 2.472786 1.684679 -1.173080
C 1.028801 -0.714679 1.261448
C 0.165588 0.917628 -0.257518
C -0.208714 -0.103558 0.613585
C 1.257224 -2.171777 0.815861
C -0.787027 1.591841 -1.200358
C -1.561701 -0.519222 0.708502
C 3.193100 0.787026 3.091286
C -2.196072 1.234995 -1.088351
C -2.587277 0.263071 -0.147803
C -3.128654 1.959740 -2.047648
C 2.409637 -2.871649 -1.254898
C -5.156961 0.258347 -0.328555
C -6.224787 -0.046850 0.738664
H 3.779746 -1.133774 0.326562
H 4.115013 0.270888 -1.895884
H 5.461308 0.589319 0.101941
H 2.016197 1.661756 -2.174277
H 2.771671 2.721310 -0.941175
H 0.929706 -0.743019 2.363496
H 2.195005 -2.595806 1.217280
H 0.394882 -2.777719 1.140363
H 3.122792 1.527160 3.903288
H 2.884212 -0.206955 3.480122
H 4.233999 0.740207 2.722507
H -3.695360 2.775080 -1.557360
H -3.848944 1.281433 -2.536915
H -2.511531 2.431802 -2.830261
H -3.841184 -0.975592 0.820328
H -5.151076 1.340852 -0.534656
H -5.425287 -0.259864 -1.275905
H 1.320121 -2.690302 -3.021318
H 2.925632 -3.415585 -3.181263
H -5.998917 0.493451 1.672129
H -7.221339 0.270589 0.368240
H -6.526555 -2.021446 0.370381


