%chk=000147824.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000147824

0 1
 O   -3.060900       2.327200      0.9433000    
 O    3.419900       1.379400     -0.5765000    
 O   0.8386000       2.267300     -0.7125000    
 O    1.592200      -2.897900      0.3023000    
 O   -4.735000     -0.7649000     -0.8822000    
 N   -2.580800     -0.2053000     -0.1449000    
 C   -1.535300      0.8318000     -0.1260000    
 C  -0.1547000      0.1982000     -9.7999997E-02
 C   5.1100001E-02  -1.109300      0.1323000    
 C   -1.082300      -2.068600      0.3933000    
 C   -2.393200      -1.364600      0.7184000    
 C   -1.762900       1.779300       1.057300    
 C   0.9988000       1.087800     -0.4095000    
 C    1.419100      -1.694700      0.1241000    
 C    2.573200     -0.7840000     -0.1022000    
 C    2.365200      0.5154000     -0.3509000    
 C   -3.753900     -3.0200001E-02 -0.8638000    
 C    3.933600      -1.417700     -4.1499998E-02
 C    3.867400       1.950700      0.6369000    
 H   -1.647500       1.402600      -1.057200    
 H   -1.217200      -2.685700     -0.5043000    
 H  -0.8380000      -2.745900       1.220000    
 H   -3.230600      -2.062800      0.6155000    
 H   -2.394200      -1.010500       1.755900    
 H   -1.040700       2.601300       1.077200    
 H   -1.699400       1.255400       2.016600    
 H   -3.735700      0.8948000      -1.463100    
 H    4.740800     -0.7257000     -0.2992000    
 H    3.995600      -2.255200     -0.7448000    
 H    4.129700      -1.796900      0.9670000    
 H   -3.091800       2.846800      0.1219000    
 H    4.231700       1.189300       1.335200    
 H    3.078300       2.544400       1.111600    
 H    4.700800       2.622200      0.4096000    


%chk=000147824-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000147824

0 1
O -2.920974 2.453015 1.237287
O 3.616024 1.063715 -0.037585
O 0.941535 2.242842 -0.139744
O 1.478758 -3.160800 0.353856
O -4.609141 -0.635325 -1.194289
N -2.543882 -0.169187 -0.181102
C -1.466816 0.800482 0.058241
C -0.113340 0.103073 0.106197
C 0.015663 -1.261623 0.190600
C -1.175762 -2.190546 0.210661
C -2.479558 -1.446231 0.554598
C -1.723482 1.624425 1.366155
C 1.084460 0.980067 0.001137
C 1.384380 -1.891139 0.238055
C 2.585843 -1.036795 0.152661
C 2.439465 0.338398 0.040497
C -3.628479 0.131644 -0.991761
C 3.946893 -1.682697 0.195081
C 3.685445 2.542451 -0.110353
H -1.453558 1.530157 -0.776145
H -1.265544 -2.664172 -0.787527
H -0.986167 -3.021149 0.914215
H -3.369567 -2.029790 0.268021
H -2.532322 -1.253495 1.644450
H -0.831433 2.235588 1.598737
H -1.934579 0.942752 2.206195
H -3.534031 1.133453 -1.466929
H 4.552902 -1.273538 1.024014
H 4.510866 -1.473854 -0.732970
H 3.842879 -2.771414 0.319169
H -2.712031 3.245546 0.680901
H 3.203673 3.006688 0.764937
H 3.206538 2.916662 -1.028374
H 4.767240 2.744797 -0.117087


