%chk=000063375.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000063375

0 1
 O  -0.8122000     -0.2700000      -2.021400    
 N  -0.9483000       1.266800     -0.2602000    
 N   -2.612900      0.9965000       1.416300    
 C   0.1784000       2.048100     -0.7679000    
 C    1.452500       1.186800     -0.8481000    
 C    1.940100      0.6235000      0.4953000    
 C  -0.1708000       2.614100      -2.144800    
 C   -1.608800       1.640600      0.9086000    
 C   -1.338300      0.1317000     -0.9872000    
 C    3.224700     -0.1602000      0.3986000    
 C   -2.482900     -0.6153000     -0.4233000    
 C   -3.071400     -0.1505000      0.7557000    
 C   -1.128600       2.875300       1.633900    
 C   -2.965100      -1.764800      -1.059400    
 C    3.173100      -1.525400      0.1596000    
 C    4.436500      0.4968000      0.5497000    
 C   -4.154500     -0.8549000       1.293600    
 C   -4.045100      -2.455900     -0.5119000    
 C   -4.639400      -2.002000      0.6635000    
 C    4.361300      -2.250500      6.9799997E-02
 C    5.624700     -0.2284000      0.4598000    
 C    5.587000      -1.602100      0.2198000    
 H   0.4095000       2.901100     -0.1290000    
 H    1.358700      0.3676000      -1.568000    
 H    2.253900       1.819400      -1.256800    
 H    1.166800     -1.9099999E-02  0.9353000    
 H    2.074200       1.446700       1.209300    
 H  -0.2430000       1.854500      -2.927500    
 H   -1.122800       3.155500      -2.112700    
 H   0.6011000       3.323400      -2.464800    
 H   -1.216400       3.753800      0.9886000    
 H  -9.3300000E-02   2.746400       1.961200    
 H   -1.742800       3.048800       2.523400    
 H   -2.515100      -2.134900      -1.976400    
 H    2.223300      -2.038700      3.8899999E-02
 H    4.476200       1.566500      0.7346000    
 H   -4.628800     -0.5127000       2.210400    
 H   -4.422900      -3.348600      -1.001800    
 H   -5.480600      -2.540700       1.089900    
 H    4.332100      -3.319800     -0.1178000    
 H    6.579200      0.2765000      0.5759000    
 H    6.512200      -2.166600      0.1495000    


%chk=000063375-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000063375

0 1
O -0.730511 -0.368120 -1.975622
N -0.954286 1.259789 -0.282877
N -2.695494 1.106214 1.389987
C 0.212463 2.030273 -0.859439
C 1.522931 1.200232 -0.896935
C 1.898435 0.554846 0.463358
C -0.150797 2.621459 -2.240268
C -1.660321 1.736537 0.847734
C -1.344472 0.045910 -0.943278
C 3.216632 -0.203675 0.388493
C -2.487284 -0.656835 -0.333636
C -3.124950 -0.102410 0.818880
C -1.240924 3.038021 1.499320
C -2.952633 -1.877587 -0.890441
C 3.293205 -1.437517 -0.310663
C 4.396545 0.309554 0.984072
C -4.227973 -0.786030 1.402796
C -4.041400 -2.543217 -0.304661
C -4.678463 -1.993406 0.845473
C 4.515565 -2.136972 -0.412530
C 5.623544 -0.387005 0.883883
C 5.687229 -1.613330 0.184084
H 0.382402 2.865614 -0.161539
H 1.445951 0.421676 -1.672433
H 2.331029 1.894296 -1.202700
H 1.086951 -0.135378 0.765538
H 1.960655 1.341070 1.242583
H -0.321889 1.819088 -2.974685
H -1.059294 3.247561 -2.177846
H 0.680097 3.255957 -2.598713
H -1.275377 3.892324 0.798925
H -0.221309 2.985532 1.923916
H -1.949210 3.225936 2.318578
H -2.441093 -2.271857 -1.774437
H 2.387728 -1.850105 -0.773658
H 4.353185 1.259188 1.532592
H -4.701467 -0.343089 2.284061
H -4.402878 -3.485362 -0.730147
H -5.527602 -2.517971 1.297479
H 4.555691 -3.089618 -0.953110
H 6.524933 0.024107 1.353006
H 6.635954 -2.156400 0.107056


