%chk=000001827.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000001827

0 1
 O    1.395400      0.7968000     -0.6845000    
 O    3.085100      -1.897700     -0.7454000    
 O    3.079800       2.755400      0.3290000    
 O  -0.1778000       2.419100     -0.3416000    
 O   -4.560800       1.412800      0.6202000    
 O   -4.842800      -1.659600     -0.8324000    
 N  -0.8120000      0.1734000     -0.3050000    
 N   -2.360500       1.902900      0.1373000    
 C    1.082900      -1.278400      0.4664000    
 C    2.615200      -1.032000      0.3041000    
 C   0.5035000     -0.3336000     -0.6337000    
 C    2.703300      0.4501000     -0.1720000    
 C   0.5689000     -0.8769000       1.874800    
 C   0.6754000      -2.753400      0.2725000    
 C    3.475900      -1.373900       1.523800    
 C   0.4315000     -0.9107000      -2.053300    
 C    3.026200       1.475600      0.9247000    
 C    3.698700      0.6817000      -1.320800    
 C   -1.835300     -0.7399000     -0.1131000    
 C   -1.043600       1.555800     -0.1837000    
 C   -3.094300     -0.4044000      0.1940000    
 C   -3.425100       1.038000      0.3405000    
 C   -4.189800      -1.401000      0.3983000    
 H    1.102100      -1.424500       2.659600    
 H   0.6816000      0.1897000       2.077100    
 H  -0.4853000      -1.124400       2.031200    
 H   0.7975000      -3.109000     -0.7538000    
 H    1.320100      -3.391900      0.8904000    
 H  -0.3395000      -2.984900      0.6009000    
 H    4.538100      -1.214400       1.303400    
 H    3.229100     -0.7790000       2.407100    
 H    3.375900      -2.433000       1.785800    
 H   0.1074000     -0.1343000      -2.758800    
 H    1.407800      -1.240900      -2.417300    
 H  -0.2685000      -1.745200      -2.155100    
 H    4.001000       1.285700       1.383500    
 H    2.270800       1.513600       1.710900    
 H    3.473000      4.1700002E-02  -2.180900    
 H    3.644100       1.699300      -1.723300    
 H    4.728100      0.4858000      -1.003800    
 H    4.053100      -1.824000     -0.7967000    
 H   -1.616000      -1.781500     -0.2825000    
 H    2.202300       2.941900     -4.7200002E-02
 H   -2.556500       2.895700      0.2310000    
 H   -4.931100      -1.050400       1.123100    
 H   -3.797100      -2.348900      0.7835000    
 H   -4.187200      -2.034900      -1.445100    


%chk=000001827-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000001827

0 1
O 1.376852 0.573332 -0.938630
O 3.120602 -2.006915 -0.738614
O 2.567902 2.865830 0.111134
O -0.049007 2.178973 0.683529
O -4.627472 1.533289 0.823351
O -5.152241 -1.039775 -1.487039
N -0.852052 0.072618 -0.142451
N -2.316097 1.782192 0.609326
C 1.221072 -1.318455 0.616061
C 2.743862 -1.009660 0.300884
C 0.501284 -0.530251 -0.568510
C 2.744102 0.433682 -0.325122
C 0.784550 -0.782330 2.006462
C 0.932629 -2.840191 0.605885
C 3.714931 -1.181283 1.481107
C 0.297435 -1.346388 -1.866226
C 2.948982 1.596183 0.698957
C 3.739548 0.628666 -1.480665
C -1.991973 -0.730199 -0.263902
C -0.985521 1.385986 0.387994
C -3.284139 -0.336078 0.001317
C -3.520566 1.027545 0.492426
C -4.452444 -1.270544 -0.205503
H 1.396014 -1.246449 2.799074
H 0.856377 0.311446 2.104011
H -0.264382 -1.068308 2.202038
H 1.251352 -3.321917 -0.328305
H 1.481313 -3.326181 1.433138
H -0.144440 -3.030873 0.775118
H 4.755846 -1.009110 1.145660
H 3.516092 -0.482767 2.309338
H 3.654930 -2.213814 1.867714
H -0.142005 -0.689923 -2.636040
H 1.296874 -1.670276 -2.193693
H -0.321524 -2.251662 -1.757702
H 4.024291 1.676102 0.940122
H 2.389287 1.419280 1.635469
H 3.484217 -0.009013 -2.341947
H 3.697154 1.684576 -1.797029
H 4.778025 0.417528 -1.155822
H 4.053343 -1.825693 -1.019005
H -1.803422 -1.749699 -0.602402
H 1.569722 2.841418 0.063516
H -2.413174 2.735188 0.977270
H -5.228538 -1.080545 0.552017
H -4.115157 -2.326390 -0.131632
H -4.483836 -1.036845 -2.219581


