%chk=000178983.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000178983

0 1
 O  -0.2888000     -0.3606000      -1.907700    
 O    5.393600      0.2894000      0.7400000    
 N  -0.9315000      9.4700001E-02  0.3026000    
 C   -2.345300      3.3500001E-02  0.2378000    
 C   -3.063600       1.184300     -4.7699999E-02
 C   -2.984700      -1.176000      0.4622000    
 C   -4.455700       1.124300     -0.1104000    
 C   -4.376900      -1.236000      0.3994000    
 C   -5.112300     -8.5699998E-02  0.1131000    
 C   -2.389000       2.495600     -0.2912000    
 C   -2.224600      -2.425200      0.7712000    
 C    1.398400      3.8000001E-03 -0.3482000    
 C  -1.7000000E-03 -9.6799999E-02 -0.7289000    
 C    2.369800     -0.6852000      -1.074100    
 C    1.769400      0.7891000      0.7434000    
 C    4.083800      0.1965000      0.3829000    
 C    3.712500     -0.5889000     -0.7086000    
 C    3.112200      0.8855000       1.108900    
 C    6.334400     -0.4422000     -4.4700000E-02
 H  -0.5816000      6.2100001E-02   1.257400    
 H   -5.044500       2.010300     -0.3329000    
 H   -4.905000      -2.170400      0.5702000    
 H   -6.196300     -0.1325000      6.3900001E-02
 H   -1.742900       2.759300      0.5528000    
 H   -1.789200       2.451600      -1.206100    
 H   -3.111800       3.310200     -0.4100000    
 H   -1.600000      -2.712800     -8.0899999E-02
 H   -1.591100      -2.282700       1.653000    
 H   -2.892700      -3.266200      0.9869000    
 H    2.101200      -1.306700      -1.924400    
 H    1.049000       1.365900       1.316400    
 H    4.414700      -1.151100      -1.314600    
 H    3.396500       1.503800       1.956000    
 H    6.357400     -8.6599998E-02  -1.080400    
 H    6.159200      -1.521500      1.9900000E-02
 H    7.325700     -0.2534000      0.3802000    


%chk=000178983-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000178983

0 1
O -0.380587 0.347043 -1.881664
O 5.492414 -0.044660 0.842587
N -0.972048 -0.046807 0.353826
C -2.402124 -0.033255 0.216806
C -3.077509 1.098023 -0.328892
C -3.122894 -1.168139 0.699957
C -4.492154 1.049037 -0.412208
C -4.533681 -1.165209 0.613216
C -5.219620 -0.066854 0.050098
C -2.335490 2.336212 -0.784017
C -2.389187 -2.364981 1.281177
C 1.401109 0.108779 -0.247274
C -0.040300 0.156372 -0.673432
C 2.372688 -0.156442 -1.243192
C 1.840922 0.338917 1.086957
C 4.163256 -0.006729 0.408598
C 3.744524 -0.221230 -0.930521
C 3.205607 0.281790 1.415107
C 6.530581 -0.315940 -0.157233
H -0.607067 -0.444707 1.222250
H -5.023070 1.910456 -0.834128
H -5.092973 -2.035316 0.976587
H -6.312849 -0.078653 -0.020471
H -1.540694 2.616787 -0.067663
H -1.834810 2.154428 -1.752566
H -3.025725 3.190258 -0.891435
H -1.606021 -2.733837 0.592713
H -1.893468 -2.129456 2.245722
H -3.089581 -3.194080 1.476143
H 2.025492 -0.304805 -2.271093
H 1.126091 0.610403 1.872947
H 4.468241 -0.433882 -1.722667
H 3.557660 0.469688 2.433757
H 6.541488 0.461650 -0.944976
H 6.392870 -1.312731 -0.618722
H 7.477511 -0.292732 0.401108


