%chk=000172564.chk
%nprocshared=4
%mem=3800MB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000172564

0 1
 O   -3.025300       2.956200      0.8358000    
 O   -3.590300      -2.658500      0.4150000    
 O   -2.199900       2.549000      -1.241600    
 O   -2.926100      -1.927200      -1.631100    
 N   -1.516200      1.1300000E-02  5.5700000E-02
 C  -0.6371000     -0.9768000      0.6801000    
 C   0.8166000     -0.6387000      0.4823000    
 C   -1.285100       1.336300      0.6298000    
 C   -2.917000     -0.3777000      0.2154000    
 C    1.691900     -0.7320000       1.555200    
 C    1.260700     -0.2389000     -0.7703000    
 C    3.038800     -0.4194000       1.371700    
 C    2.607600      7.3700003E-02 -0.9536000    
 C    3.496800     -1.6500000E-02  0.1173000    
 C   -2.207000       2.317900     -3.9099999E-02
 C   -3.122700      -1.714800     -0.4412000    
 C    4.901000      0.3106000     -7.3899999E-02
 C    5.613300      0.1455000      -1.207500    
 H  -0.7676000      -1.974500      0.2436000    
 H  -0.8638000      -1.067300       1.751400    
 H  -0.2728000       1.721600      0.4696000    
 H   -1.468700       1.342400       1.712100    
 H   -3.619700      0.3019000     -0.2793000    
 H   -3.204600     -0.4348000       1.273000    
 H    1.347900      -1.045800       2.536600    
 H   0.5872000     -0.1731000      -1.620200    
 H    3.718100     -0.4967000       2.217400    
 H    2.929200      0.3950000      -1.940900    
 H    5.422600      0.7010000      0.7974000    
 H   -3.607500       3.604600      0.3854000    
 H   -3.735000      -3.519200     -3.2800000E-02
 H    6.664300      0.4148000      -1.228700    
 H    5.184200     -0.2635000      -2.115100    


%chk=000172564-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000172564

0 1
O -1.940953 3.554061 0.473869
O -4.279251 -2.394237 -0.724743
O -2.853159 2.040788 -1.032953
O -2.047870 -2.325034 -1.367120
N -1.602225 -0.136569 0.468010
C -0.609042 -1.015207 1.138095
C 0.823473 -0.645098 0.776460
C -1.564358 1.244035 0.953853
C -2.939957 -0.714209 0.323194
C 1.811110 -0.446783 1.769130
C 1.195335 -0.525075 -0.589992
C 3.140631 -0.138300 1.407357
C 2.518568 -0.216697 -0.949508
C 3.522799 -0.017160 0.043577
C -2.190988 2.256560 0.003095
C -2.977947 -1.868248 -0.673092
C 4.929283 0.307700 -0.276457
C 5.483914 0.458542 -1.511352
H -0.807893 -2.045271 0.791641
H -0.730156 -1.010326 2.250165
H -0.507676 1.538804 1.089160
H -2.051357 1.393047 1.952642
H -3.626118 0.053076 -0.076464
H -3.388996 -1.084808 1.278478
H 1.541633 -0.533996 2.829409
H 0.423238 -0.673576 -1.352866
H 3.895662 0.014359 2.188904
H 2.779459 -0.133574 -2.010426
H 5.583927 0.436356 0.598815
H -2.360788 4.214661 -0.141336
H -4.308616 -3.128371 -1.396276
H 6.545536 0.699661 -1.627232
H 4.906582 0.347288 -2.436537


