%chk=000036012.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000036012

0 1
 O    5.060000      -1.855300     -0.2281000    
 N    2.105200      0.2684000      0.3425000    
 C  -0.7973000      0.8204000      0.1543000    
 C   -1.425700      -1.585200      0.6474000    
 C   -3.205700      0.1986000      0.6421000    
 C   -2.139500     -0.5239000      -1.524000    
 C  -0.3458000     -0.5024000      0.8177000    
 C   -2.121000       1.276600      0.8124000    
 C   -1.057800      0.5562000      -1.347700    
 C   -2.731100      -1.105900       1.303500    
 C   -1.670100      -1.824800     -0.8518000    
 C   -3.441300     -4.9800001E-02 -0.8571000    
 C   0.2794000       1.895200      0.3257000    
 C    1.620500       1.480600     -0.2840000    
 C    2.661900       2.578300     -9.2399999E-02
 C    3.362000     -0.1709000     -0.2561000    
 C    3.846500      -1.456200      0.3955000    
 H   -1.097200      -2.517500       1.121300    
 H   -4.136900      0.5340000       1.112100    
 H   -2.314900     -0.7014000      -2.591000    
 H  -0.1141000     -0.3641000       1.880500    
 H   0.4834000     -0.9969000      0.3201000    
 H   -2.463600       2.217900      0.3636000    
 H   -1.964800       1.475200       1.880600    
 H  -0.1576000      0.2053000      -1.863100    
 H   -1.372600       1.480600      -1.848600    
 H   -3.504500      -1.877800       1.206500    
 H   -2.573600     -0.9459000       2.377200    
 H  -0.7527000      -2.186100      -1.332300    
 H   -2.426600      -2.607900     -0.9858000    
 H   -4.227300     -0.8029000     -0.9927000    
 H   -3.795500      0.8701000      -1.338300    
 H  -5.7700001E-02   2.829200     -0.1438000    
 H   0.4102000       2.121900       1.393100    
 H    1.502600       1.338100      -1.363300    
 H    2.236100       3.553200     -0.3594000    
 H    3.000200       2.652900      0.9477000    
 H    3.535700       2.450400     -0.7391000    
 H    2.241500      0.4174000       1.342600    
 H    4.168000      0.5604000     -0.1367000    
 H    3.240600     -0.3404000      -1.333300    
 H    3.113300      -2.260500      0.2720000    
 H    4.037300      -1.310800       1.464100    
 H    5.346300      -2.677300      0.2053000    


%chk=000036012-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000036012

0 1
O 5.322627 -1.739585 -0.701804
N 2.394128 0.320160 0.322661
C -0.779162 0.676921 0.273176
C -1.763489 -1.606771 0.894732
C -3.322284 0.335126 0.432589
C -2.024499 -0.725874 -1.468557
C -0.593438 -0.613109 1.131748
C -2.148048 1.320610 0.665249
C -0.848611 0.259873 -1.225918
C -3.107076 -0.939167 1.293310
C -1.809436 -2.000075 -0.607169
C -3.367116 -0.056262 -1.069283
C 0.336739 1.732560 0.535828
C 1.718852 1.560745 -0.144735
C 2.569148 2.847123 0.064011
C 3.673075 -0.024765 -0.334484
C 4.013944 -1.496203 -0.070790
H -1.601903 -2.514443 1.510694
H -4.275626 0.822584 0.719861
H -2.053066 -1.003581 -2.541504
H -0.551884 -0.335534 2.206825
H 0.374297 -1.079630 0.871382
H -2.309059 2.240709 0.064945
H -2.117815 1.630868 1.730986
H 0.103049 -0.225823 -1.518261
H -0.973316 1.161182 -1.862839
H -3.946793 -1.647403 1.141528
H -3.093319 -0.671586 2.369563
H -0.862344 -2.498002 -0.897611
H -2.630896 -2.723380 -0.786459
H -4.209488 -0.752811 -1.256726
H -3.542835 0.844825 -1.691684
H -0.048956 2.721270 0.208705
H 0.492410 1.818901 1.634869
H 1.561252 1.436978 -1.235361
H 2.076806 3.726036 -0.393256
H 2.704689 3.056948 1.143259
H 3.569839 2.746424 -0.394183
H 2.472913 0.309515 1.350480
H 4.542090 0.596146 -0.016181
H 3.553683 0.122151 -1.424276
H 3.222188 -2.141948 -0.502622
H 4.062113 -1.684343 1.025381
H 5.572417 -2.690357 -0.588881


