%chk=000104173.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000104173

0 1
 O    1.481200       1.637100      0.3020000    
 N   -9.033400      -1.455900     -0.3233000    
 C    6.185600      0.2667000     -0.1242000    
 C    7.276600     -0.7514000      0.2200000    
 C    4.822000     -7.4699998E-02  0.4809000    
 C    8.621800     -0.4504000     -0.4446000    
 C    3.767900      0.9591000      8.7300003E-02
 C    9.651400      -1.535500     -0.1257000    
 C    2.416800      0.6518000      0.7175000    
 C    10.97930      -1.262800     -0.8141000    
 C   0.1687000       1.249500      0.2231000    
 C   -2.493500      0.4655000      6.4300001E-02
 C  -0.3073000      0.2566000       1.071100    
 C  -0.6722000       1.854700     -0.7036000    
 C   -1.643300     -0.1370000      0.9915000    
 C   -2.008100       1.461300     -0.7832000    
 C   -3.879400      5.8300000E-02 -1.7800000E-02
 C   -4.537300     -0.4098000       1.119500    
 C   -4.557500      0.1338000      -1.234300    
 C   -5.873500     -0.8025000       1.040400    
 C   -5.893700     -0.2587000      -1.313500    
 C   -6.551700     -0.7268000     -0.1761000    
 C   -7.920400      -1.129000     -0.2573000    
 H    6.087700      0.3290000      -1.215300    
 H    6.500300       1.258900      0.2223000    
 H    6.939300      -1.749000     -8.8100001E-02
 H    7.407700     -0.7844000       1.308700    
 H    4.909200     -0.1179000       1.573200    
 H    4.508400      -1.069100      0.1412000    
 H    8.990200      0.5244000     -0.1034000    
 H    8.485000     -0.3828000      -1.530700    
 H    4.088200       1.963600      0.3911000    
 H    3.661700      0.9955000      -1.004300    
 H    9.275500      -2.513300     -0.4487000    
 H    9.810500      -1.590400      0.9575000    
 H    2.118200     -0.3535000      0.3925000    
 H    2.498800      0.6722000       1.810400    
 H    11.70080      -2.049200     -0.5712000    
 H    10.85930      -1.236100      -1.901900    
 H    11.39910     -0.3049000     -0.4908000    
 H   0.3154000     -0.2212000       1.821200    
 H  -0.2989000       2.635300      -1.360400    
 H   -1.970100     -0.9331000       1.654700    
 H   -2.639600       1.980200      -1.499100    
 H   -4.059900     -0.4572000       2.094400    
 H   -4.078200      0.4625000      -2.152400    
 H   -6.375300      -1.159100       1.936900    
 H   -6.407500     -0.2004000      -2.270200    


%chk=000104173-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000104173

0 1
O 1.463186 0.910628 -0.668772
N -9.601046 -0.493560 0.714868
C 6.378362 0.113075 -0.317469
C 7.521164 -0.772650 0.227723
C 4.973625 -0.382790 0.093845
C 8.926349 -0.275128 -0.179808
C 3.840039 0.502901 -0.472922
C 10.070014 -1.166448 0.356375
C 2.456092 0.002386 -0.056822
C 11.470503 -0.659678 -0.050876
C 0.108264 0.659551 -0.433158
C -2.710425 0.330747 -0.089284
C -0.392157 -0.406588 0.357589
C -0.798047 1.560454 -1.049582
C -1.784683 -0.556409 0.521438
C -2.180737 1.393150 -0.879595
C -4.176644 0.157829 0.084122
C -4.718620 -0.402623 1.276951
C -5.089685 0.545413 -0.939054
C -6.103560 -0.573561 1.443552
C -6.477128 0.383842 -0.783587
C -7.002080 -0.180530 0.412443
C -8.420659 -0.351280 0.577214
H 6.442201 0.153315 -1.424769
H 6.518453 1.154302 0.040169
H 7.382577 -1.813325 -0.133606
H 7.455787 -0.816884 1.335215
H 4.907832 -0.412171 1.201706
H 4.840052 -1.428040 -0.255710
H 9.070156 0.762707 0.187336
H 8.991723 -0.224348 -1.286970
H 3.963721 1.545988 -0.124077
H 3.894734 0.524738 -1.578209
H 9.928013 -2.202344 -0.014018
H 10.001976 -1.219995 1.462314
H 2.280152 -1.032226 -0.418847
H 2.340640 0.018688 1.047101
H 12.269486 -1.314210 0.343453
H 11.574756 -0.624957 -1.151861
H 11.649746 0.361979 0.334351
H 0.283349 -1.122616 0.834113
H -0.393745 2.384184 -1.645425
H -2.153683 -1.404986 1.108592
H -2.860011 2.118892 -1.340166
H -4.047562 -0.679005 2.096937
H -4.705212 0.950032 -1.881066
H -6.500357 -0.998814 2.370852
H -7.161111 0.680268 -1.585103


