%chk=000044500.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000044500

0 1
 O   0.3049000     -6.6999998E-03  2.8500000E-02
 O   -2.218400      0.5251000      0.1275000    
 O    1.836300      -2.475800     -0.1513000    
 O    4.602700      -2.195300     -0.2148000    
 O    5.754200      0.3067000     -0.1101000    
 O   -1.891000       2.792100      0.2425000    
 N   -5.775600     -0.4501000      0.1875000    
 C   -4.331100     -0.6145000      0.1221000    
 C    2.212300       1.203700      4.1400000E-02
 C    1.108300       2.092800      0.1219000    
 C    1.665400     -7.4000001E-02 -1.3900000E-02
 C   -6.254400      0.3739000     -0.9251000    
 C   -6.446400      -1.752400      0.1768000    
 C   -3.634200      0.7356000      0.1770000    
 C  -2.2399999E-02   1.309300      0.1106000    
 C    2.418600      -1.243500     -0.1001000    
 C    3.611400       1.337400      9.1000004E-03
 C    3.807500      -1.087300     -0.1310000    
 C    4.395700      0.1790000     -7.7500001E-02
 C   -1.405600       1.642800      0.1668000    
 C    1.163200       3.565800      0.1997000    
 C   -7.752200      0.6096000     -0.8288000    
 C   -5.966200      -2.626600       1.322800    
 C    1.523900      -2.989900      -1.443600    
 C    5.013000      -2.787800       1.013700    
 C    6.279900       1.630000     -5.1500000E-02
 H   -3.943100      -1.185400      0.9728000    
 H   -4.018500      -1.157100     -0.7803000    
 H   -5.823100       1.377600     -0.8913000    
 H   -6.005900     -6.4300001E-02  -1.899700    
 H   -7.524000      -1.632100      0.3284000    
 H   -6.301000      -2.280200     -0.7742000    
 H   -3.887100       1.266800       1.102400    
 H   -3.871200       1.364100     -0.6850000    
 H    4.011200       2.342300      5.3300001E-02
 H    2.191400       3.940000      0.1940000    
 H   0.6876000       3.920600       1.120000    
 H   0.6428000       4.015800     -0.6522000    
 H   -8.044100       1.406100      -1.523000    
 H   -8.050100      0.9287000      0.1760000    
 H   -8.333900     -0.2738000      -1.109200    
 H   -6.642200      -3.481700       1.438000    
 H   -5.963100      -2.085400       2.275200    
 H   -4.970000      -3.042900       1.143800    
 H   0.8079000      -2.337100      -1.952900    
 H    2.431600      -3.094800      -2.046200    
 H    1.070400      -3.977100      -1.319600    
 H    5.599900      -2.079700       1.607300    
 H    4.144900      -3.128200       1.586900    
 H    5.640100      -3.653600      0.7840000    
 H    7.371000       1.544100     -8.7700002E-02
 H    6.033500       2.122100      0.8956000    
 H    5.981200       2.223600     -0.9223000    


%chk=000044500-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000044500

0 1
O 0.321660 -0.582068 0.533052
O -2.316823 -0.267819 0.848171
O 2.279200 -2.733233 0.864268
O 4.986246 -2.106213 0.230752
O 5.713841 0.464968 -0.475596
O -2.265787 2.001535 0.268811
N -5.952306 -0.255682 -0.207692
C -4.490727 -0.447074 -0.357045
C 2.020794 0.899266 -0.024204
C 0.770698 1.638748 -0.030092
C 1.699188 -0.439737 0.321769
C -6.367485 1.158551 -0.423484
C -6.771210 -1.240772 -0.960292
C -3.799718 -0.174425 0.993261
C -0.223617 0.718397 0.310387
C 2.666502 -1.462593 0.432681
C 3.365138 1.261240 -0.299236
C 4.013521 -1.093121 0.171653
C 4.348400 0.258772 -0.209489
C -1.670039 0.903030 0.459877
C 0.613096 3.100449 -0.341614
C -7.647635 1.535465 0.345938
C -6.760597 -2.641690 -0.319508
C 2.583322 -3.863518 -0.045394
C 6.051469 -1.930945 1.245618
C 6.112668 1.802009 -0.920331
H -4.277765 -1.486000 -0.663160
H -4.054546 0.220790 -1.135236
H -5.540565 1.807334 -0.079512
H -6.501486 1.376508 -1.513171
H -7.811941 -0.868863 -0.972880
H -6.447663 -1.311137 -2.029925
H -4.056112 -0.948502 1.731317
H -4.064194 0.826515 1.375423
H 3.615279 2.286230 -0.582948
H 0.984200 3.324790 -1.360076
H 1.203633 3.715764 0.363950
H -0.442050 3.404451 -0.276223
H -7.896541 2.600501 0.180835
H -7.503395 1.368302 1.427577
H -8.517552 0.935341 0.022393
H -7.394691 -3.337952 -0.899844
H -7.144265 -2.588776 0.714209
H -5.742178 -3.069820 -0.282784
H 2.017804 -3.748784 -0.989502
H 3.665743 -3.919788 -0.246767
H 2.236932 -4.758815 0.492052
H 6.652460 -1.034433 1.020922
H 5.606651 -1.858743 2.255712
H 6.669923 -2.838116 1.169691
H 7.196982 1.736747 -1.092200
H 5.901252 2.564499 -0.145347
H 5.600286 2.076720 -1.862468


