%chk=000171344.chk
%nprocshared=4
%mem=7500MB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000171344

0 1
 O  -0.2976000     -0.6281000     -5.0000002E-04
 N   -4.996800     -0.7889000      9.9999997E-05
 C   -2.410400      0.5790000      9.9999997E-05
 C   -2.988100     -8.5199997E-02   1.260100    
 C   -2.989100     -8.3200000E-02  -1.260400    
 C   -4.515800     -0.1209000       1.209800    
 C   -4.516600     -0.1194000      -1.209000    
 C  -0.8903000      0.5877000     -3.9999999E-04
 C   2.9600000E-02   1.598000     -9.9999997E-05
 C    1.301800      0.9674000      1.9999999E-04
 C    1.046000     -0.3999000     -3.0000001E-04
 C    2.639300       1.400500      8.9999998E-04
 C    2.036400      -1.380200     -3.0000001E-04
 C    3.657700      0.4376000      6.9999998E-04
 C    3.359000     -0.9274000     -9.9999997E-05
 C    5.077800      0.9064000      1.9999999E-04
 C    4.456900      -1.943300     -1.0000000E-03
 H   -2.734500       1.629900      1.0000000E-03
 H   -2.663300      0.4598000       2.155000    
 H   -2.602400      -1.108500       1.361000    
 H   -2.603200      -1.106300      -1.363300    
 H   -2.665100      0.4631000      -2.154600    
 H   -4.896700     -0.6566000       2.086200    
 H   -4.923600      0.8958000       1.261800    
 H   -4.924700      0.8973000      -1.259600    
 H   -4.898000     -0.6541000      -2.085800    
 H   -4.661400      -1.752500     -5.0000002E-04
 H  -0.1783000       2.658700      1.9999999E-04
 H    2.867800       2.462400      1.2000001E-03
 H    1.781500      -2.433800     -7.9999998E-04
 H    5.602200      0.5506000      0.8929000    
 H    5.600100      0.5544000     -0.8953000    
 H    5.144400       2.000100      2.6000000E-03
 H    5.079700      -1.839700      0.8934000    
 H    4.062900      -2.965800     -2.0999999E-03
 H    5.080000      -1.837800     -0.8950000    


%chk=000171344-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000171344

0 1
O -0.314940 -0.694409 -0.000344
N -5.141436 -0.715901 -0.000100
C -2.444315 0.580859 0.000450
C -3.027164 -0.101451 1.276355
C -3.027302 -0.100089 -1.276117
C -4.578959 -0.107289 1.231093
C -4.579091 -0.105932 -1.230686
C -0.945162 0.591605 0.000375
C 0.007091 1.593072 0.000833
C 1.316491 0.957757 0.000433
C 1.075580 -0.443402 -0.000297
C 2.660886 1.403848 0.000591
C 2.091102 -1.406640 -0.000877
C 3.715409 0.462393 0.000011
C 3.431904 -0.950288 -0.000723
C 5.156725 0.943344 0.000083
C 4.567630 -1.958384 -0.001343
H -2.769356 1.642066 0.001025
H -2.671915 0.429072 2.181396
H -2.647179 -1.140139 1.333409
H -2.647347 -1.138725 -1.334317
H -2.672135 0.431387 -2.180629
H -4.986930 -0.643587 2.107428
H -4.949413 0.936816 1.286767
H -4.949513 0.938250 -1.285137
H -4.987187 -0.641238 -2.107568
H -5.013546 -1.738751 -0.000672
H -0.203995 2.661044 0.001404
H 2.891442 2.475063 0.001148
H 1.858659 -2.475819 -0.001439
H 5.710093 0.579291 0.887392
H 5.709500 0.581203 -0.888388
H 5.209756 2.045341 0.001241
H 5.218583 -1.841134 0.886747
H 4.184165 -2.992650 -0.002394
H 5.219066 -1.839484 -0.888850


