%chk=000042378.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000042378

0 1
 O   -1.465300      -1.615300     -0.3819000    
 O   -4.100200      -2.455400     -0.6712000    
 O    4.482500      9.7000003E-03  -1.705300    
 N   -3.629400       1.003600      0.5635000    
 N    3.685200      0.2407000      0.5039000    
 C   -3.985100     -8.1799999E-02 -0.3404000    
 C   -3.763400      -1.456200      0.2955000    
 C   -3.795900       2.297100     -8.5100003E-02
 C   -2.324400      -1.686400      0.7518000    
 C   -3.463100       3.408500      0.9054000    
 C   -2.910800       2.385000      -1.325200    
 C  -0.1942000      -1.156000     -0.1628000    
 C    2.389200     -0.2257000      0.2813000    
 C   0.4142000      -1.373100       1.068800    
 C   0.4776000     -0.4779000      -1.174300    
 C    1.709800     -0.9066000       1.291500    
 C    1.773200     -1.1400000E-02 -0.9516000    
 C    4.044100      0.7189000       1.875100    
 C    4.666100      0.3686000     -0.5395000    
 C    5.990200       1.013600     -0.1993000    
 H   -5.037100      3.1999999E-03 -0.6428000    
 H   -3.401600     -6.7299999E-02  -1.266600    
 H   -4.434300      -1.586600       1.153100    
 H   -4.842500       2.430500     -0.3879000    
 H   -4.206800      0.9553000       1.402500    
 H   -2.236000      -2.693700       1.175800    
 H   -2.074500     -0.9474000       1.522700    
 H   -2.422800       3.345500       1.244300    
 H   -3.607800       4.392900      0.4472000    
 H   -4.110400       3.357200       1.788100    
 H   -3.303100       1.801600      -2.164000    
 H   -1.884600       2.060200      -1.118400    
 H   -2.855600       3.421300      -1.679200    
 H   -5.031800      -2.323100     -0.9166000    
 H  -6.5399997E-02  -1.930100       1.868000    
 H  -4.6000001E-03 -0.2975000      -2.131100    
 H    2.172100      -1.115000       2.252700    
 H    2.236500      0.5608000      -1.748600    
 H    4.700800       1.589700       1.829500    
 H    4.556300     -9.5399998E-02   2.395900    
 H    3.148900       1.021800       2.427000    
 H    6.681200      0.8900000      -1.039100    
 H    5.849300       2.083000     -2.3499999E-02
 H    6.439200      0.5357000      0.6751000    


%chk=000042378-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000042378

0 1
O -1.423534 -0.768680 -0.333020
O -3.657614 -2.656295 -0.520258
O 4.771838 -0.527985 -1.848465
N -4.470591 0.914961 0.429809
N 4.156351 0.172498 0.310241
C -4.241047 -0.224914 -0.476148
C -3.675835 -1.436736 0.302360
C -4.379700 2.279212 -0.163803
C -2.249874 -1.211633 0.799387
C -5.084772 3.276086 0.778339
C -2.902491 2.674640 -0.382224
C -0.057580 -0.566043 -0.098708
C 2.743758 -0.094510 0.144837
C 0.576384 -0.697496 1.159695
C 0.713291 -0.199154 -1.229717
C 1.965558 -0.466220 1.269618
C 2.092679 0.036287 -1.115375
C 4.596796 0.638384 1.644185
C 5.099237 -0.098826 -0.700708
C 6.572605 0.148410 -0.363487
H -5.169984 -0.550902 -1.012166
H -3.506044 0.060452 -1.246234
H -4.309189 -1.604894 1.204682
H -4.899990 2.313660 -1.153627
H -5.328505 0.801662 0.985109
H -1.851637 -2.160813 1.208721
H -2.265256 -0.427915 1.582275
H -4.623736 3.239240 1.782999
H -4.993178 4.306682 0.393093
H -6.163229 3.045990 0.880028
H -2.359716 1.912965 -0.969221
H -2.390743 2.770772 0.592548
H -2.833165 3.639039 -0.919293
H -4.488814 -2.695184 -1.058456
H 0.013686 -0.983422 2.052695
H 0.211904 -0.108482 -2.198242
H 2.435153 -0.598044 2.249593
H 2.673513 0.298424 -1.999377
H 5.517177 1.233344 1.559290
H 4.789114 -0.201251 2.341495
H 3.816722 1.284273 2.079328
H 7.160805 -0.223082 -1.215230
H 6.789770 1.225638 -0.234795
H 6.895581 -0.377635 0.552526


