%chk=000017950.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000017950

0 1
 O   0.7430000       1.517900      0.4613000    
 O    3.336200      0.7005000     -0.4966000    
 O   -1.167400     -0.3746000      0.8700000    
 N   -4.512000      1.1800000E-02 -0.6239000    
 C    1.068000      0.2079000      0.2232000    
 C    2.328200     -0.1891000     -0.2305000    
 C   7.2800003E-02 -0.7444000      0.4440000    
 C    1.903900       2.349500      0.5406000    
 C    2.849900       2.041300     -0.6036000    
 C   -2.269400     -0.7175000      3.2099999E-02
 C   -3.370400      0.3127000      0.2271000    
 C    2.607500      -1.542400     -0.4220000    
 C   0.3489000      -2.096500      0.2394000    
 C    1.615900      -2.495300     -0.1877000    
 C   -5.555000       1.018200     -0.4734000    
 H    2.382500       2.190900       1.514900    
 H    1.571200       3.390900      0.4889000    
 H    2.358300       2.159000      -1.577200    
 H    3.714000       2.712200     -0.5736000    
 H   -1.961900     -0.7373000      -1.022100    
 H   -2.625600      -1.716200      0.3117000    
 H   -3.664100      0.3327000       1.284200    
 H   -2.967600       1.307000     -4.1000000E-03
 H    3.589000      -1.861100     -0.7624000    
 H  -0.4096000      -2.853400      0.4206000    
 H    1.829800      -3.549200     -0.3406000    
 H   -4.887900     -0.9048000     -0.3828000    
 H   -5.193500       2.010300     -0.7630000    
 H   -5.928800       1.058400      0.5549000    
 H   -6.396400      0.7711000      -1.128100    


%chk=000017950-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000017950

0 1
O 1.042873 1.759012 0.204061
O 3.690714 0.532880 -0.029973
O -1.164151 0.245242 -0.039202
N -4.836672 -0.306967 -0.052806
C 1.219509 0.372799 -0.016609
C 2.499782 -0.229550 -0.115891
C 0.053980 -0.436724 -0.139135
C 2.275741 2.418359 0.681548
C 3.467312 1.986018 -0.177952
C -2.396772 -0.550166 -0.153420
C -3.561969 0.438225 -0.032132
C 2.634043 -1.622779 -0.302581
C 0.187299 -1.831773 -0.337223
C 1.475812 -2.414221 -0.408373
C -6.039076 0.524294 -0.249304
H 2.449652 2.148432 1.741702
H 2.081013 3.499409 0.596682
H 3.277099 2.220890 -1.243432
H 4.404243 2.464281 0.150036
H -2.438805 -1.072518 -1.128785
H -2.431875 -1.307484 0.659774
H -3.413521 1.066909 0.878221
H -3.542371 1.121668 -0.900814
H 3.638217 -2.050421 -0.370466
H -0.698962 -2.464166 -0.434476
H 1.570265 -3.494881 -0.556311
H -4.927903 -0.928816 0.761319
H -5.996050 1.004303 -1.244424
H -6.171310 1.334341 0.509009
H -6.938617 -0.116100 -0.227745


