%chk=000045407.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000045407

0 1
 O    3.356000      0.4211000      0.1760000    
 O    2.194500      -1.399400     -0.6363000    
 N   -2.733900      2.4200000E-02 -0.1570000    
 C   -1.499100      0.7056000      0.2134000    
 C  -0.2890000     -0.1422000     -0.1729000    
 C   -3.898300      0.8317000      0.2106000    
 C   -2.807400      -1.291900      0.4797000    
 C    1.017900      0.5635000      0.1874000    
 C   -3.842600       2.203600     -0.4400000    
 C   -4.057900      -2.040300      5.0400000E-02
 C    2.228000     -0.2773000     -0.1502000    
 C    4.593100     -0.2489000     -8.7200001E-02
 C    5.738600      0.6504000      0.3262000    
 H   -1.471700      0.9280000       1.288300    
 H   -1.393500       1.653400     -0.3246000    
 H  -0.3060000     -0.3723000      -1.245800    
 H  -0.2640000      -1.093500      0.3672000    
 H   -4.820000      0.3682000     -0.1557000    
 H   -3.992400      0.9441000       1.298000    
 H   -1.992400      -1.941700      0.1516000    
 H   -2.766300      -1.225700       1.574000    
 H    1.041500      0.7765000       1.262200    
 H    1.092200       1.506600     -0.3658000    
 H   -3.116800       2.866600      4.1099999E-02
 H   -3.614800       2.138600      -1.509500    
 H   -4.818900       2.692700     -0.3454000    
 H   -4.962400      -1.652700      0.5292000    
 H   -4.192500      -2.018100      -1.036600    
 H   -3.976800      -3.092400      0.3469000    
 H    4.631200      -1.183200      0.4841000    
 H    4.666300     -0.4733000      -1.157200    
 H    6.701900      0.1681000      0.1384000    
 H    5.703500       1.596500     -0.2237000    
 H    5.668900      0.8985000       1.390400    


%chk=000045407-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000045407

0 1
O 3.407127 0.443728 0.161014
O 2.305046 -1.589795 -0.118582
N -2.772462 0.042388 0.127105
C -1.494051 0.524935 0.707636
C -0.258682 -0.119922 0.044332
C -3.874935 1.033653 0.252137
C -3.155189 -1.305853 0.630220
C 1.056076 0.400520 0.665901
C -3.755388 2.196274 -0.752274
C -4.055038 -2.080537 -0.351801
C 2.273264 -0.375898 0.191483
C 4.686343 -0.222293 -0.239760
C 5.776366 0.842476 -0.175878
H -1.452789 0.352699 1.816031
H -1.441110 1.620400 0.562101
H -0.285357 0.097038 -1.039199
H -0.287010 -1.220098 0.145453
H -4.825858 0.504175 0.060564
H -3.944443 1.438624 1.294817
H -2.227342 -1.886041 0.784605
H -3.654650 -1.238668 1.631034
H 1.010413 0.292217 1.770418
H 1.213412 1.474459 0.463186
H -2.830033 2.781225 -0.600109
H -3.742561 1.803828 -1.783902
H -4.610229 2.890352 -0.645418
H -5.012945 -1.560307 -0.534616
H -3.541563 -2.197037 -1.321790
H -4.290737 -3.084235 0.049146
H 4.872261 -1.063521 0.452563
H 4.556455 -0.637909 -1.255412
H 6.748167 0.401649 -0.464247
H 5.554987 1.675708 -0.864592
H 5.869356 1.250768 0.845033


