%chk=000053458.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000053458

0 1
 O   -4.766400      0.6990000       1.713700    
 O   -5.651100       1.789700     -0.2447000    
 N  -0.4158000      -1.609900      0.1053000    
 N    3.161800     -0.8512000     -4.7100000E-02
 N    4.899400      0.1688000      -1.249700    
 N    4.296900      0.9434000      0.9513000    
 C    2.289300      -1.024000       1.098500    
 C    1.173500      2.2600001E-02   1.074400    
 C    1.695300      -2.434100       1.101300    
 C   0.1369000     -0.2548000     -1.8999999E-02
 C   0.6410000      -2.625100      6.2000002E-03
 C   -1.442800      -1.839300     -0.9109000    
 C   -2.573900     -0.8577000     -0.7686000    
 C    4.148600      0.1152000     -0.1171000    
 C   -3.092600     -0.5941000      0.4948000    
 C   -3.081100     -0.2293000      -1.912400    
 C   -4.129100      0.3132000      0.5748000    
 C   -4.634400      0.9359000     -0.5435000    
 C   -4.131100      0.6857000      -1.803600    
 C   -5.729000       1.635100       1.187000    
 C    5.852100       1.123700      -1.284500    
 C    5.268000       1.874300      0.8489000    
 C    6.084400       2.012700     -0.2551000    
 H    2.873700     -0.9143000       2.020900    
 H    1.575000       1.033600      0.9410000    
 H   0.6654000      1.7400000E-02   2.048200    
 H    1.229300      -2.622600       2.077600    
 H    2.486800      -3.183400      0.9784000    
 H  -0.6288000      0.5206000      8.6599998E-02
 H   0.5960000     -0.1116000      -1.006500    
 H    1.114300      -2.605400     -0.9837000    
 H   0.2044000      -3.623700      0.1312000    
 H   -1.867200      -2.845500     -0.8000000    
 H   -1.007400      -1.783000      -1.917700    
 H    3.039200      -1.437600     -0.8643000    
 H   -2.722000      -1.081400       1.389900    
 H   -2.668000     -0.4444000      -2.894300    
 H   -4.532300       1.178000      -2.682000    
 H   -5.561000       2.611800       1.655100    
 H   -6.735300       1.287900       1.448200    
 H    6.443500       1.155400      -2.193300    
 H    5.375500       2.528100       1.707800    
 H    6.855800       2.768800     -0.3100000    


%chk=000053458-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000053458

0 1
O -4.953669 0.580569 1.804777
O -6.129610 1.480720 -0.090164
N -0.355240 -1.378662 -0.051269
N 3.295815 -0.858402 0.031815
N 5.159468 -0.088609 -1.151460
N 4.488340 0.945004 0.981646
C 2.315764 -0.901552 1.137441
C 1.242983 0.213227 1.010850
C 1.622956 -2.283734 1.163321
C 0.289973 -0.043916 -0.169960
C 0.645787 -2.468974 -0.017719
C -1.401302 -1.601615 -1.076146
C -2.639824 -0.734587 -0.864651
C 4.338027 0.029096 -0.041063
C -3.123088 -0.517333 0.459989
C -3.334661 -0.194686 -1.973699
C -4.289869 0.232122 0.598775
C -4.982156 0.760663 -0.512077
C -4.528555 0.565137 -1.817296
C -6.140372 1.376200 1.394143
C 6.199498 0.781776 -1.215553
C 5.549866 1.790409 0.868861
C 6.451216 1.758120 -0.219030
H 2.879043 -0.738980 2.074325
H 1.745741 1.189909 0.897871
H 0.656317 0.240466 1.949159
H 1.048101 -2.360619 2.104097
H 2.378063 -3.092999 1.160308
H -0.502705 0.724563 -0.188530
H 0.855157 0.041001 -1.134901
H 1.216738 -2.533293 -0.985400
H 0.113696 -3.432448 0.094299
H -1.691544 -2.670578 -1.014143
H -1.015191 -1.438702 -2.115054
H 3.218091 -1.509743 -0.751081
H -2.571564 -0.917382 1.314617
H -2.944060 -0.362118 -2.984048
H -5.062135 0.982669 -2.674776
H -6.061534 2.389293 1.825552
H -7.055702 0.845871 1.710171
H 6.846696 0.687603 -2.095483
H 5.668215 2.514036 1.684074
H 7.294032 2.448981 -0.289487


