%chk=000100379.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000100379

0 1
 O   0.6821000     -0.7669000     -6.9499999E-02
 O    1.407900       3.230500     -5.9700001E-02
 N    2.952200      -1.234100     -0.1407000    
 C  -0.3801000      0.1084000     -3.0500000E-02
 C   -1.683400     -0.4401000      4.4999998E-03
 C  -0.1921000       1.491200     -2.5500000E-02
 C   -2.791700      0.4421000      4.4700000E-02
 C    1.979800     -0.2749000     -0.1038000    
 C    1.175300       2.029400     -6.2100001E-02
 C   -1.285100       2.354300      1.4200000E-02
 C    4.339600     -0.8976000     -0.4291000    
 C    2.263300       1.037000     -0.1018000    
 C   -2.575900       1.829300      4.8900001E-02
 C   -1.935000      -1.829200      2.0000001E-03
 C   -4.095700     -7.9000004E-02  8.0300003E-02
 C    2.618700      -2.651900     -0.1422000    
 C   -3.237300      -2.329800      3.8199998E-02
 C    5.073700     -0.5633000      0.8552000    
 C   -4.316400      -1.455300      7.7000000E-02
 H   -1.154700       3.432800      1.8700000E-02
 H    4.843900      -1.748100     -0.9062000    
 H    4.428400     -8.1799999E-02  -1.156500    
 H    3.263600       1.450600     -0.1239000    
 H   -3.417500       2.518700      7.9700001E-02
 H   -1.113700      -2.542600     -2.7899999E-02
 H   -4.956100      0.5868000      0.1113000    
 H    3.493800      -3.269900      8.7800004E-02
 H    2.237500      -2.953000      -1.123700    
 H    1.864500      -2.885800      0.6177000    
 H   -3.406200      -3.402600      3.5700001E-02
 H    4.639400      0.2961000       1.374100    
 H    5.052000      -1.411100       1.548800    
 H    6.121800     -0.3315000      0.6410000    
 H   -5.330500      -1.842900      0.1050000    


%chk=000100379-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000100379

0 1
O 0.699216 -0.738611 -0.126945
O 1.396691 3.382684 -0.087199
N 2.939581 -1.248339 -0.261366
C -0.388539 0.163001 -0.055818
C -1.690245 -0.438024 -0.001483
C -0.187426 1.547986 -0.047661
C -2.828523 0.454066 0.070705
C 2.008072 -0.235839 -0.178893
C 1.194586 2.118003 -0.104392
C -1.332606 2.406658 0.024580
C 4.371255 -0.921822 -0.440420
C 2.260050 1.134144 -0.158700
C -2.616314 1.877751 0.083106
C -1.900978 -1.853694 -0.019283
C -4.141579 -0.116166 0.126098
C 2.581075 -2.672160 -0.137874
C -3.196445 -2.375905 0.035609
C 5.111758 -0.649800 0.888423
C -4.325590 -1.501554 0.109720
H -1.138330 3.484025 0.031802
H 4.837713 -1.777031 -0.963601
H 4.457656 -0.051480 -1.116141
H 3.283770 1.510257 -0.166233
H -3.488367 2.539086 0.138622
H -1.034903 -2.518814 -0.081230
H -5.005166 0.556999 0.181058
H 3.312763 -3.181827 0.515405
H 2.580548 -3.173539 -1.125738
H 1.581876 -2.777176 0.306869
H -3.351474 -3.460169 0.020329
H 4.668235 0.208123 1.421988
H 5.068121 -1.529064 1.556188
H 6.175366 -0.422755 0.692034
H -5.335748 -1.923215 0.152141


