%chk=000104171.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000104171

0 1
 O   -3.075400      -1.007600     -0.6855000    
 N    7.688700      0.7699000      0.5377000    
 C   -6.254600      0.7861000      0.2045000    
 C   -5.283400     -0.3725000     -1.0800000E-02
 C   -7.592600      0.2949000      0.7562000    
 C   -3.933700      0.1126000     -0.5206000    
 C   -8.550600       1.449300       1.003800    
 C   -1.731600     -0.7852000     -0.5314000    
 C   0.9942000     -0.3348000     -0.2213000    
 C    2.412700     -0.1008000     -6.0500000E-02
 C   -1.199700      0.4594000     -0.8479000    
 C  -0.9147000      -1.807100     -6.1500002E-02
 C   0.1679000      0.6854000     -0.6923000    
 C   0.4529000      -1.581100      9.3999997E-02
 C    3.068200      0.8084000     -0.8908000    
 C    3.125200     -0.7844000      0.9247000    
 C    4.435900       1.034000     -0.7358000    
 C    4.492900     -0.5587000       1.079600    
 C    5.148300      0.3505000      0.2495000    
 C    6.549300      0.5818000      0.4085000    
 H   -6.417200       1.312000     -0.7441000    
 H   -5.815000       1.508600      0.9031000    
 H   -5.704300      -1.094100     -0.7222000    
 H   -5.138500     -0.9251000      0.9262000    
 H   -8.050000     -0.4089000      5.1100001E-02
 H   -7.432600     -0.2455000       1.696500    
 H   -3.534900      0.8238000      0.2146000    
 H   -4.056400      0.6168000      -1.486100    
 H   -8.136100       2.154200       1.731700    
 H   -8.756700       1.993700      7.6700002E-02
 H   -9.501300       1.075300       1.396700    
 H   -1.804100       1.272500      -1.238200    
 H   -1.332000      -2.780900      0.1786000    
 H   0.5402000       1.678800     -0.9272000    
 H    1.061100      -2.414600      0.4344000    
 H    2.561900       1.340600      -1.691500    
 H    2.652200      -1.478400       1.614100    
 H    4.934600       1.740800      -1.394900    
 H    5.033800      -1.094100       1.856600    


%chk=000104171-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000104171

0 1
O -3.059945 -0.859543 0.355824
N 8.068593 0.488080 -0.453581
C -6.498839 0.790026 0.176173
C -5.415334 -0.300519 0.342827
C -7.933545 0.232023 0.319855
C -4.002784 0.268511 0.200876
C -9.017752 1.317733 0.150770
C -1.692164 -0.593419 0.241913
C 1.141823 -0.279287 0.039101
C 2.615604 -0.116986 -0.067007
C -1.133695 0.690046 0.011398
C -0.836206 -1.717402 0.372521
C 0.265638 0.831242 -0.088223
C 0.554205 -1.557514 0.273369
C 3.189217 0.905206 -0.877715
C 3.505175 -0.977675 0.639308
C 4.581441 1.066832 -0.978825
C 4.899471 -0.830062 0.543075
C 5.456055 0.197839 -0.268335
C 6.881994 0.355950 -0.369394
H -6.395059 1.271668 -0.818727
H -6.344196 1.590872 0.929428
H -5.558511 -1.094691 -0.414764
H -5.511662 -0.781129 1.335167
H -8.088814 -0.568932 -0.431045
H -8.039148 -0.248216 1.313687
H -3.799002 1.029925 0.982565
H -3.859322 0.734192 -0.796614
H -8.903762 2.114701 0.909694
H -8.952291 1.792212 -0.846553
H -10.032986 0.893889 0.256743
H -1.769222 1.575493 -0.078997
H -1.285515 -2.701069 0.538550
H 0.680580 1.835033 -0.233144
H 1.193106 -2.444579 0.344717
H 2.535813 1.562076 -1.461469
H 3.098478 -1.753473 1.296415
H 5.001855 1.853363 -1.613473
H 5.565304 -1.496814 1.100089


