%chk=000087716.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000087716

0 1
 O   -2.686500     -2.2299999E-02 -0.7465000    
 O  -0.5314000      0.5121000      -1.094700    
 O   -1.339700      0.3468000       1.087500    
 N    1.300600      -1.465100     -0.5355000    
 C   -3.795700     -0.2852000      0.1190000    
 C   -4.054800      0.9581000      0.9687000    
 C   -5.003700     -0.5951000     -0.7624000    
 C   -3.451600      -1.485200       1.000200    
 C    1.617500     -0.1767000     -0.3054000    
 C    2.872100      0.1990000      0.2185000    
 C   0.6966000      0.8293000     -0.5851000    
 C   -1.513200      0.2823000     -0.1231000    
 C    3.169200       1.553500      0.4461000    
 C   0.9918000       2.175900     -0.3589000    
 C    3.799400     -0.8132000      0.5001000    
 C    2.229500       2.538900      0.1574000    
 C    3.475800      -2.141500      0.2642000    
 C    2.224000      -2.411600     -0.2501000    
 H   -4.021300       1.866500      0.3559000    
 H   -5.046600      0.9036000       1.433400    
 H   -3.351700       1.099600       1.793400    
 H   -4.802100      -1.457300      -1.408300    
 H   -5.223800      0.2464000      -1.429400    
 H   -5.898100     -0.8090000     -0.1684000    
 H   -2.754900      -1.266800       1.813300    
 H   -4.355100      -1.878300       1.481300    
 H   -3.009100      -2.293200      0.4059000    
 H    4.135300       1.848400      0.8500000    
 H   0.2577000       2.944600     -0.5854000    
 H    4.779500     -0.5717000      0.9051000    
 H    2.462700       3.584300      0.3345000    
 H    4.180600      -2.936800      0.4762000    
 H    1.915100      -3.431300     -0.4549000    


%chk=000087716-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000087716

0 1
O -2.618881 0.217127 -0.545469
O -0.621975 1.147411 -0.792332
O -1.263471 0.466052 1.374044
N 0.885342 -1.147278 -0.141125
C -3.807661 -0.414136 0.198327
C -4.342920 0.590852 1.235120
C -4.800443 -0.637543 -0.952950
C -3.348385 -1.742719 0.827151
C 1.514128 0.087910 -0.139383
C 2.926353 0.253067 0.140532
C 0.743485 1.264517 -0.439045
C -1.496200 0.557424 0.153989
C 3.516441 1.556786 0.086340
C 1.336877 2.523530 -0.499597
C 3.673033 -0.930794 0.451012
C 2.733988 2.667433 -0.236798
C 3.030531 -2.169682 0.459648
C 1.633159 -2.227578 0.148648
H -4.595766 1.550431 0.750553
H -5.262120 0.184798 1.695507
H -3.603405 0.772332 2.031190
H -4.363980 -1.303988 -1.716137
H -5.058625 0.320725 -1.435119
H -5.725577 -1.100169 -0.565128
H -2.615893 -1.571381 1.631623
H -4.224244 -2.267410 1.250845
H -2.891006 -2.391708 0.060092
H 4.586152 1.670049 0.297594
H 0.717067 3.390645 -0.745934
H 4.742802 -0.847704 0.675465
H 3.184019 3.664428 -0.284956
H 3.572145 -3.091534 0.692758
H 1.113130 -3.192893 0.136132


