%chk=000036891.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000036891

1 1
 O   0.9790000      0.6378000      0.1164000    
 N    3.265500      0.9178000      0.5075000    
 N    5.027800       1.740800     -0.4409000    
 N   -2.670400      0.2041000      5.3700000E-02
 C    4.110200     -0.1485000      0.2767000    
 C    5.247900      0.3828000     -0.3355000    
 C    1.957400      0.8459000       1.129000    
 C    3.831100       2.047700      7.0299998E-02
 C   -1.331000      0.3317000     -0.4541000    
 C  -0.3293000      0.5532000      0.6644000    
 C    3.972500      -1.504700      0.5489000    
 C    6.327100     -0.4050000     -0.7185000    
 C   -3.631600     -5.4699998E-02  -1.019000    
 C    5.053600      -2.312400      0.1684000    
 C   -5.040700     -0.1530000     -0.4979000    
 C    6.202800      -1.775600     -0.4503000    
 C   -5.538500      -1.386700     -0.1021000    
 C   -5.822300      0.9911000     -0.4210000    
 C   -6.844200      -1.478000      0.3803000    
 C   -7.127900      0.9001000      6.1500002E-02
 C   -7.638800     -0.3346000      0.4621000    
 H    1.936400      3.3399999E-02   1.863000    
 H    1.765500       1.793000       1.646600    
 H    3.404200       3.036300      0.1163000    
 H    5.676700       2.409600     -0.8466000    
 H   -1.260200       1.169700      -1.159100    
 H   -1.036600     -0.5646000      -1.015300    
 H  -0.3675000     -0.2799000       1.377100    
 H  -0.5606000       1.482100       1.200300    
 H    3.088000      -1.912800       1.020900    
 H   -3.376000     -0.9836000      -1.545800    
 H   -3.585600      0.7451000      -1.769700    
 H    7.202800      1.9200001E-02  -1.192300    
 H   -2.710100     -0.5545000      0.7345000    
 H    5.006000      -3.383200      0.3539000    
 H    7.014400      -2.445100     -0.7267000    
 H   -4.927400      -2.283000     -0.1601000    
 H   -5.433900       1.957900     -0.7288000    
 H   -7.242000      -2.439100      0.6928000    
 H   -7.746700       1.790400      0.1256000    
 H   -8.655300     -0.4054000      0.8380000    


%chk=000036891-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000036891

1 1
O 1.082028 0.772722 0.054097
N 3.330459 1.283666 0.419898
N 5.275282 1.742504 -0.538664
N -2.546379 -0.084298 -0.039455
C 4.019266 0.048458 0.294228
C 5.275149 0.345905 -0.313453
C 1.969671 1.449348 0.964345
C 4.102873 2.273598 -0.099848
C -1.156507 0.000660 -0.515184
C -0.329625 0.747590 0.539138
C 3.658509 -1.267488 0.644622
C 6.230929 -0.654100 -0.581468
C -3.577276 -0.297619 -1.088426
C 4.614257 -2.267915 0.380692
C -4.976744 -0.347353 -0.487938
C 5.874819 -1.967880 -0.218150
C -5.884125 -1.366797 -0.867472
C -5.398917 0.639058 0.440615
C -7.194907 -1.398420 -0.337278
C -6.705604 0.606467 0.974821
C -7.608831 -0.411500 0.585730
H 1.941489 1.002058 1.981282
H 1.759099 2.536878 1.041928
H 3.825348 3.322571 -0.155604
H 6.031479 2.279960 -0.966114
H -1.142448 0.581323 -1.455663
H -0.676157 -0.982117 -0.734489
H -0.368624 0.230173 1.522009
H -0.710032 1.780611 0.659013
H 2.683237 -1.505297 1.075083
H -3.400602 -1.226616 -1.680982
H -3.499317 0.550335 -1.799452
H 7.195500 -0.433623 -1.047040
H -2.667156 -0.742534 0.741543
H 4.382155 -3.306888 0.632653
H 6.580660 -2.782429 -0.405067
H -5.567547 -2.137754 -1.581165
H -4.694367 1.423142 0.739247
H -7.887932 -2.190709 -0.640749
H -7.023359 1.374359 1.689108
H -8.623453 -0.434750 0.998108


