%chk=000040040.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000040040

0 1
 O    1.781700      -1.234900      0.1541000    
 N   0.2810000      -4.586000      0.2362000    
 C   -3.682400      0.7944000       1.996900    
 C   -2.521000       1.686400       1.559700    
 C   -4.976300       1.039900       1.222900    
 C   -1.838500       1.198300      0.3058000    
 C   -4.913900      0.6829000     -0.2611000    
 C   -3.954300       1.556800      -1.068100    
 C   -2.511700       1.137600     -0.9285000    
 C   0.1799000      0.3509000     -0.7633000    
 C  -0.4912000      0.8027000      0.3722000    
 C    1.608600     -6.6699997E-02 -0.6693000    
 C   -1.820400      0.6828000      -2.064800    
 C  -0.4849000      0.2910000      -1.982300    
 C    2.541200       1.035500     -0.1796000    
 C   0.9304000      -2.281200     -0.2716000    
 C    1.151300      -3.487200      0.6274000    
 C    3.022100       1.952200      -1.090100    
 C    2.872700       1.079700       1.158000    
 C    3.875100       2.960800     -0.6421000    
 C    3.725700       2.088500       1.605900    
 C    4.226800       3.029000      0.7059000    
 C   0.5348000      -4.979400      -1.152000    
 C   0.4631000      -5.734100       1.127900    
 H   -3.403100     -0.2648000       1.936100    
 H   -3.890100       1.003300       3.054000    
 H   -1.792100       1.715600       2.380000    
 H   -2.849300       2.723500       1.419000    
 H   -5.279500       2.088100       1.336500    
 H   -5.769600      0.4391000       1.685200    
 H   -5.922400      0.8193000     -0.6719000    
 H   -4.667400     -0.3792000     -0.3822000    
 H   -4.057500       2.614400     -0.7961000    
 H   -4.247700       1.492500      -2.123900    
 H   2.1100000E-02  0.8376000       1.330500    
 H    1.977700     -0.3555000      -1.664500    
 H   -2.321500      0.6288000      -3.028400    
 H   2.0099999E-02 -5.7799999E-02  -2.878900    
 H  -0.1270000      -2.006100     -0.1986000    
 H    1.177700      -2.503700      -1.314300    
 H    2.211200      -3.775300      0.6044000    
 H   0.9430000      -3.188300       1.663200    
 H    2.751700       1.906900      -2.140700    
 H    2.489600      0.3651000       1.879400    
 H    4.264900       3.693500      -1.342700    
 H    3.998100       2.143100       2.655900    
 H    4.890400       3.814800       1.054900    
 H   0.1522000      -4.240200      -1.862400    
 H  -6.3000000E-03  -5.903200      -1.391100    
 H    1.598000      -5.158100      -1.349500    
 H   0.2468000      -5.453300       2.164800    
 H    1.482800      -6.133800       1.083600    
 H  -0.2357000      -6.537700      0.8699000    


%chk=000040040-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000040040

0 1
O 1.643979 -1.249445 0.166787
N 0.503391 -4.809129 0.272671
C -3.851259 0.915538 1.942235
C -2.638534 1.795415 1.520576
C -5.150141 1.187881 1.147019
C -1.932964 1.333445 0.251954
C -5.076838 0.892111 -0.369576
C -4.053957 1.770427 -1.147437
C -2.604990 1.322718 -1.010937
C 0.108114 0.437918 -0.823932
C -0.591012 0.895489 0.319936
C 1.548446 -0.061398 -0.706791
C -1.901115 0.870026 -2.152289
C -0.561919 0.426048 -2.066286
C 2.521929 0.985534 -0.154990
C 0.925077 -2.419487 -0.357894
C 1.301376 -3.593584 0.557755
C 2.519088 2.296616 -0.695782
C 3.458520 0.659062 0.854834
C 3.440508 3.263641 -0.238414
C 4.375922 1.630464 1.318326
C 4.374024 2.934138 0.772531
C 0.835155 -5.433038 -1.025063
C 0.570531 -5.784693 1.379892
H -3.572349 -0.153477 1.856313
H -4.059121 1.103529 3.014686
H -1.903987 1.809353 2.347198
H -2.995206 2.840571 1.400857
H -5.434592 2.252582 1.286961
H -5.970461 0.586371 1.588122
H -6.082369 1.062806 -0.803884
H -4.836912 -0.177066 -0.534328
H -4.165516 2.819728 -0.800328
H -4.323386 1.766962 -2.220528
H -0.069815 0.902969 1.285108
H 1.888147 -0.356619 -1.728593
H -2.413231 0.860727 -3.122446
H -0.041739 0.070946 -2.965397
H -0.170528 -2.257352 -0.331855
H 1.231776 -2.596657 -1.412482
H 2.403402 -3.778852 0.482785
H 1.093678 -3.278939 1.597027
H 1.786280 2.562839 -1.467047
H 3.453217 -0.352817 1.267886
H 3.427618 4.272869 -0.665850
H 5.093809 1.367332 2.103962
H 5.087853 3.684992 1.130271
H 0.643996 -4.728735 -1.852625
H 0.190834 -6.316330 -1.182465
H 1.903242 -5.766374 -1.091838
H 0.232187 -5.308248 2.317083
H 1.598553 -6.195752 1.551928
H -0.102810 -6.634552 1.166653


