%chk=000047870.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000047870

0 1
 O  -0.5008000       1.955000      0.9446000    
 O   -3.325800      -1.208800      -1.042600    
 O   -2.753100       2.332400      0.7565000    
 O   -2.888300      0.7937000      -2.066800    
 N    2.629100      0.3029000     -0.1737000    
 C   -1.793100      0.2164000      2.9600000E-02
 C  -0.3381000      1.8200001E-02 -0.3550000    
 C   0.3867000      0.8610000      0.6750000    
 C   -2.324400     -0.7948000       1.029100    
 C    1.719800       1.391800      0.1822000    
 C   -2.856800      -1.891100      0.1285000    
 C   -1.780500       1.609800      0.6018000    
 C   -2.712300      1.0600000E-02  -1.146000    
 C    2.913200     -0.5341000       1.000600    
 C    3.867700      0.8373000     -0.7571000    
 C    3.824100      -1.707100      0.6349000    
 C    4.809900     -0.2906000      -1.180100    
 C    5.116000      -1.224200     -1.4400000E-02
 C   -3.993400      -2.678400      0.7532000    
 H  -0.1598000      0.4007000      -1.368700    
 H  -1.4800000E-02  -1.027900     -0.3404000    
 H   0.4838000      0.3331000       1.629100    
 H   -3.134700     -0.3537000       1.624300    
 H   -1.572900      -1.169600       1.731600    
 H    2.157300       2.049900      0.9454000    
 H    1.541100       2.034800     -0.6905000    
 H   -2.058200      -2.576100     -0.1800000    
 H    2.005700     -0.9891000       1.407000    
 H    3.375200      5.6899998E-02   1.802200    
 H    4.381000       1.498300     -4.6300001E-02
 H    3.632200       1.435000      -1.646100    
 H    3.298400      -2.380400     -5.4400001E-02
 H    4.058500      -2.289100       1.533500    
 H    5.742800      0.1326000      -1.569400    
 H    4.353100     -0.8638000      -1.997100    
 H    5.723600     -0.6942000      0.7292000    
 H    5.705300      -2.079700     -0.3620000    
 H   -3.669000      -3.185100       1.666900    
 H   -4.841200      -2.026900      0.9918000    
 H   -4.366600      -3.429500      4.8799999E-02


%chk=000047870-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000047870

0 1
O -0.500820 1.812552 1.230514
O -3.437415 -1.008990 -1.248890
O -2.791923 2.168767 1.112686
O -2.515685 0.945836 -2.100510
N 2.752274 0.276583 0.085372
C -1.793238 0.087337 0.140562
C -0.286705 -0.174800 -0.136627
C 0.452873 0.698996 0.905175
C -2.539067 -0.978396 0.988764
C 1.759974 1.330346 0.402375
C -3.196283 -1.906435 -0.062707
C -1.808051 1.464410 0.849048
C -2.596736 0.114761 -1.185830
C 3.484021 -0.203037 1.288061
C 3.694927 0.670282 -0.996683
C 4.365924 -1.421819 0.950034
C 4.583010 -0.520524 -1.410056
C 5.351409 -1.083760 -0.192308
C -4.525154 -2.531495 0.347488
H -0.021907 0.168279 -1.152214
H -0.008251 -1.236787 -0.051774
H 0.613982 0.149206 1.852026
H -3.327447 -0.488391 1.588770
H -1.869500 -1.532286 1.668158
H 2.131582 2.060599 1.160301
H 1.531236 1.902075 -0.515779
H -2.483911 -2.679861 -0.410962
H 2.752134 -0.474967 2.071061
H 4.127861 0.613368 1.710569
H 4.350801 1.520485 -0.671587
H 3.103952 1.021324 -1.862576
H 3.712136 -2.259928 0.639419
H 4.914177 -1.741152 1.857150
H 5.287077 -0.194781 -2.199530
H 3.938394 -1.311106 -1.840939
H 6.080828 -0.327105 0.164339
H 5.932075 -1.979834 -0.481307
H -4.376204 -3.195563 1.218657
H -5.253012 -1.748633 0.621834
H -4.948634 -3.129355 -0.476884


