%chk=000056886.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000056886

0 1
 O   -3.044400      -1.849900      0.7573000    
 O   -4.395900       1.011900     -0.8296000    
 N   -2.985000     -0.5426000      0.2054000    
 C   0.6060000      0.4497000      6.5200001E-02
 C    1.893800     -0.1354000     -1.9800000E-02
 C  -0.5440000     -0.3733000      9.2399999E-02
 C   0.4711000       1.856400      0.1228000    
 C    2.028600      -1.542200     -7.7399999E-02
 C    3.043700      0.6875000     -4.6999998E-02
 C   -1.811600      0.2210000      0.1767000    
 C  -0.3909000      -1.765100      3.4499999E-02
 C   0.8780000      -2.341600     -4.9199998E-02
 C    1.621700       2.655900      9.4800003E-02
 C    2.890700       2.079400      1.1000000E-02
 C  -0.8103000       2.420300      0.2067000    
 C   -1.942300       1.607500      0.2334000    
 C    3.310100      -2.106000     -0.1613000    
 C    4.311200      9.3300000E-02 -0.1314000    
 C    4.442100      -1.293200     -0.1879000    
 C   -4.204500     -8.6099997E-02 -0.3069000    
 C   -5.367900      -1.047400     -0.1899000    
 H   -1.200500      -2.477400     -2.7000001E-02
 H   0.9585000      -3.425400     -0.1084000    
 H    1.542600       3.740300      0.1379000    
 H    3.760800       2.732400     -8.3999997E-03
 H  -0.9364000       3.499200      0.2695000    
 H   -2.889500       2.114900      0.3801000    
 H    3.438300      -3.185400     -0.2066000    
 H    5.209800      0.7062000     -0.1537000    
 H    5.429300      -1.741800     -0.2531000    
 H   -3.156600      -1.631100       1.698500    
 H   -5.147000      -1.973000     -0.7286000    
 H   -5.571700      -1.264100      0.8623000    
 H   -6.262300     -0.5963000     -0.6301000    


%chk=000056886-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000056886

0 1
O -3.125213 -1.571979 1.242243
O -4.207995 0.597113 -1.436573
N -3.080817 -0.450702 0.295902
C 0.598347 0.478774 0.104339
C 1.894507 -0.131759 -0.025130
C -0.590554 -0.342431 0.106757
C 0.494551 1.914963 0.208506
C 2.011148 -1.562302 -0.163351
C 3.085230 0.684495 -0.025832
C -1.859893 0.303337 0.244959
C -0.446648 -1.775143 -0.047665
C 0.802220 -2.355000 -0.179860
C 1.702282 2.710372 0.203571
C 2.948380 2.119758 0.095902
C -0.792594 2.508258 0.310652
C -1.950125 1.713511 0.338739
C 3.300654 -2.147300 -0.287858
C 4.355493 0.059082 -0.151643
C 4.459506 -1.342411 -0.279631
C -4.206321 -0.286268 -0.531832
C -5.373181 -1.222880 -0.257855
H -1.346484 -2.393829 -0.050694
H 0.893183 -3.440733 -0.302605
H 1.608171 3.799325 0.286047
H 3.856985 2.733202 0.094700
H -0.879068 3.598507 0.376277
H -2.938026 2.176040 0.412568
H 3.386596 -3.235089 -0.393068
H 5.258972 0.680025 -0.152231
H 5.446163 -1.808061 -0.376994
H -3.131866 -1.146861 2.146277
H -5.074425 -2.278286 -0.375847
H -5.749057 -1.108143 0.774265
H -6.174620 -0.978986 -0.970833


