%chk=000041801.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000041801

0 1
 O    4.780100     -0.6740000      -1.804800    
 N   -1.855200     -0.2836000      2.6000000E-03
 C   0.4125000      0.5415000      0.1037000    
 C   -1.798800      0.8854000      0.8832000    
 C  -0.5288000     -0.4871000     -0.6215000    
 C  -0.3738000      0.7631000       1.411700    
 C   0.4090000       1.920500     -0.6411000    
 C   -1.975400       2.249500      0.1973000    
 C   -2.983400     -0.3583000     -0.9052000    
 C   -4.298900     -0.3813000     -0.1455000    
 C  -0.9836000       2.478700     -0.9407000    
 C   -4.523500      -1.479100      0.8264000    
 C   -5.274300      -1.450100     -0.4725000    
 C    1.865300      0.1052000      0.2677000    
 C  -0.1795000      -1.964600     -0.4009000    
 C    2.669100     -8.8200003E-02 -0.8573000    
 C    2.394500     -0.1007000       1.543100    
 C    3.997600     -0.4864000     -0.7073000    
 C    3.722700     -0.4988000       1.693100    
 C    4.524400     -0.6915000      0.5680000    
 H   -2.513400      0.7942000       1.708600    
 H  -0.5431000     -0.2853000      -1.700300    
 H  -4.9300000E-02   1.650300       1.968000    
 H  -0.3115000     -9.9600002E-02   2.088700    
 H   0.9482000       1.863300      -1.594200    
 H   0.9544000       2.655600     -3.2200001E-02
 H   -1.826200       3.035100      0.9498000    
 H   -2.997700       2.379300     -0.1744000    
 H   -3.003700      0.4637000      -1.628100    
 H   -2.900800      -1.276600      -1.500200    
 H   -4.676900      0.6028000      9.7400002E-02
 H   -1.362600       2.009200      -1.855700    
 H  -0.9157000       3.549500      -1.166100    
 H   -5.073000      -1.249100       1.731200    
 H   -3.770700      -2.248300      0.9481000    
 H   -5.020900      -2.195700      -1.215700    
 H   -6.328200      -1.200900     -0.4382000    
 H   0.7655000      -2.224000     -0.8875000    
 H  -9.2799999E-02  -2.210700      0.6633000    
 H  -0.9449000      -2.619500     -0.8329000    
 H    2.269400      5.0099999E-02  -1.858500    
 H    1.816400      4.6000000E-02   2.448700    
 H    4.134200     -0.6565000       2.685900    
 H    5.557800      -1.001000      0.6986000    
 H    5.667800     -0.9474000      -1.515900    


%chk=000041801-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000041801

0 1
O 4.705213 -0.872765 -1.893148
N -1.837785 -0.235752 0.028485
C 0.444030 0.570028 0.155939
C -1.783840 0.930975 0.950151
C -0.486958 -0.486222 -0.573730
C -0.340610 0.799050 1.480690
C 0.422928 1.933365 -0.625320
C -1.970669 2.313121 0.255207
C -3.004945 -0.412897 -0.849174
C -4.327296 -0.439792 -0.090539
C -1.006392 2.438392 -0.949776
C -4.750208 -1.703087 0.666139
C -5.484336 -1.297334 -0.624510
C 1.899505 0.126944 0.326026
C -0.091732 -1.966468 -0.388868
C 2.670804 -0.190421 -0.820486
C 2.525968 0.061517 1.598529
C 4.023062 -0.568445 -0.697487
C 3.882967 -0.314219 1.715306
C 4.646083 -0.633795 0.572378
H -2.532003 0.808452 1.755793
H -0.495756 -0.259572 -1.667500
H -0.000847 1.698561 2.024411
H -0.268853 -0.076685 2.151031
H 0.999669 1.835738 -1.564987
H 0.957871 2.680286 -0.004689
H -1.779526 3.112846 0.999529
H -3.017017 2.440776 -0.086271
H -3.071722 0.374790 -1.646058
H -2.883243 -1.378390 -1.379859
H -4.613920 0.515515 0.365945
H -1.412669 1.850342 -1.795612
H -0.955819 3.487535 -1.299656
H -5.277905 -1.593203 1.618132
H -4.069470 -2.558947 0.625507
H -5.304068 -1.894773 -1.524631
H -6.504012 -0.909674 -0.542477
H 0.835404 -2.220081 -0.932764
H 0.054230 -2.199118 0.680702
H -0.903048 -2.616107 -0.767255
H 2.234909 -0.156435 -1.824716
H 1.960200 0.306666 2.501761
H 4.352410 -0.359261 2.704505
H 5.700014 -0.926708 0.666711
H 5.641677 -1.130049 -1.704961


