%chk=000077514.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000077514

0 1
 O   0.5524000      -2.902100      6.3000001E-02
 O    2.887700      -2.381100      0.1608000    
 O    3.929800      0.2358000      0.2151000    
 O   -2.770500       2.681300     -4.1900001E-02
 N  -0.1765000       3.187600      6.4700000E-02
 C  -0.2229000     -0.5548000      4.2399999E-02
 C   0.2696000      0.7819000      6.9399998E-02
 C   0.7535000      -1.551800      7.7000000E-02
 C    1.663700       1.068800      0.1271000    
 C   -1.694000     -0.7790000     -1.7700000E-02
 C  -0.5747000       1.893300      4.1700002E-02
 C    2.104700      -1.266400      0.1332000    
 C    2.587900      2.2299999E-02  0.1591000    
 C   -2.573500      0.3264000     -4.6000000E-02
 C   -2.032100       1.704600     -1.7800000E-02
 C    2.099500       2.398000      0.1519000    
 C   -2.296600      -2.050600     -4.9800001E-02
 C    1.893600      -3.415000      0.1137000    
 C   -3.967900      0.1682000     -0.1014000    
 C    1.151600       3.405500      0.1194000    
 C   -3.687000      -2.212800     -0.1056000    
 C   -4.521900      -1.104800     -0.1309000    
 C    4.623500      0.3447000      -1.027400    
 H    3.150300       2.665700      0.2018000    
 H   -1.715600      -2.965300     -3.3100002E-02
 H    2.068100      -4.033000     -0.7745000    
 H    1.996200      -4.044900       1.004700    
 H   -4.634200       1.026400     -0.1225000    
 H    1.449100       4.448700      0.1387000    
 H   -4.112200      -3.212400     -0.1288000    
 H   -5.599200      -1.232100     -0.1740000    
 H    5.669100      0.5842000     -0.8151000    
 H    4.200600       1.142700      -1.645600    
 H    4.585900     -0.6061000      -1.568300    


%chk=000077514-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000077514

0 1
O 0.566344 -2.764343 -0.395865
O 2.874143 -2.239349 -0.551838
O 3.898764 0.703968 -0.364637
O -3.071857 2.723387 0.357591
N -0.369243 3.354690 0.193275
C -0.293993 -0.413539 -0.124727
C 0.172882 0.957642 -0.047508
C 0.724993 -1.360981 -0.264088
C 1.580538 1.291302 -0.122529
C -1.732863 -0.715390 -0.055842
C -0.752176 2.052254 0.114088
C 2.116279 -1.049702 -0.342408
C 2.586383 0.257655 -0.281995
C -2.666924 0.357820 0.106929
C -2.232102 1.784076 0.205631
C 1.959183 2.659772 -0.036909
C -2.245283 -2.043439 -0.147397
C 1.926109 -3.343264 -0.299585
C -4.058686 0.091290 0.178052
C 0.966229 3.639362 0.116786
C -3.628866 -2.291213 -0.075255
C -4.546160 -1.222849 0.089110
C 4.997490 -0.279372 -0.463634
H 3.015112 2.932791 -0.092284
H -1.557083 -2.879566 -0.277575
H 2.046709 -4.107751 -1.080508
H 2.076428 -3.735035 0.724692
H -4.729538 0.947227 0.303194
H 1.230504 4.700102 0.183758
H -3.995915 -3.321082 -0.149093
H -5.621859 -1.420203 0.144157
H 5.909563 0.332630 -0.513070
H 4.893915 -0.893582 -1.373339
H 5.018981 -0.931407 0.426124


