%chk=000047123.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000047123

2 1
 O    5.488900       1.421900      7.6600000E-02
 N   -1.735000     -0.9034000     -0.1635000    
 N    3.263500     -0.4171000      0.1472000    
 C   -3.113800       1.110700      -1.046000    
 C   -4.311800     -0.7190000      8.6999997E-02
 C   -1.744400      0.5698000     -0.6012000    
 C   -3.000500      -1.347900      0.5871000    
 C   -4.164900      2.6699999E-02  -1.231100    
 C   -3.651300       2.142300     -2.9700000E-02
 C   -4.886100      0.2570000       1.137500    
 C  -0.5383000      -1.096500      0.7904000    
 C   -4.026800       1.510700       1.312200    
 C   -1.462000      -1.824700      -1.362200    
 C   0.7626000     -0.6767000      0.1142000    
 C    2.026000     -0.8180000      0.9565000    
 C    4.500200     -0.5708000       1.039800    
 C    3.118600       1.051100     -0.2694000    
 C    3.332700      -1.339200      -1.068400    
 C    5.721600      4.8000000E-02  0.3779000    
 C    4.420700       1.575200     -0.8550000    
 H   -2.978900       1.639700      -1.998100    
 H   -5.047600      -1.523200     -4.0300000E-02
 H   -1.042500      0.6741000      -1.436800    
 H   -1.357300       1.168400      0.2319000    
 H   -2.847300      -1.135100       1.651600    
 H   -3.047500      -2.440200      0.4930000    
 H   -5.124400      0.4744000      -1.521900    
 H   -3.901300     -0.6444000      -2.051500    
 H   -4.542300       2.624400     -0.4529000    
 H   -2.916700       2.940700      0.1299000    
 H   -5.004200     -0.2476000       2.103800    
 H   -5.893200      0.5617000      0.8243000    
 H  -0.5148000      -2.150600       1.092000    
 H  -0.7226000     -0.4832000       1.680800    
 H   -3.116000       1.257600       1.867200    
 H   -4.564800       2.242700       1.925400    
 H   -1.076500      -2.781900     -0.9962000    
 H   -2.400000      -2.014200      -1.885200    
 H  -0.7602000      -1.353600      -2.054800    
 H   0.8797000      -1.276700     -0.7860000    
 H   0.6746000      0.3662000     -0.1866000    
 H    2.167500      -1.853600       1.288100    
 H    1.978600     -0.1723000       1.841400    
 H    4.640900      -1.637900       1.242000    
 H    4.277400     -4.6300001E-02   1.976500    
 H    2.853600       1.615200      0.6322000    
 H    2.330700       1.141300      -1.021600    
 H    3.158300      -2.369300     -0.7437000    
 H    2.604700      -1.021900      -1.819100    
 H    4.325200      -1.269000      -1.517600    
 H    6.565000      7.7999998E-03   1.075500    
 H    6.038400     -0.4823000     -0.5256000    
 H    4.679500       1.081600      -1.798500    
 H    4.320900       2.644500      -1.067800    


%chk=000047123-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000047123

2 1
O 5.753885 1.360832 0.389024
N -1.802935 -0.799649 -0.340893
N 3.400452 -0.412645 0.053951
C -3.496761 1.126605 -1.028738
C -4.386889 -0.821253 0.284105
C -2.020898 0.690646 -0.757015
C -2.941600 -1.310276 0.613626
C -4.470582 -0.073623 -1.069176
C -3.984551 2.124568 0.063859
C -4.905140 0.130640 1.402891
C -0.483278 -0.924500 0.458623
C -4.106360 1.456079 1.455280
C -1.733761 -1.712080 -1.566970
C 0.812040 -0.603897 -0.329926
C 2.000244 -0.676229 0.659168
C 4.427016 -0.539493 1.228024
C 3.481660 1.033462 -0.509368
C 3.720153 -1.442968 -1.027827
C 5.825436 -0.029414 0.842351
C 4.930716 1.454637 -0.815277
H -3.510458 1.639820 -2.007236
H -5.035778 -1.714661 0.249150
H -1.393481 0.843065 -1.650822
H -1.603841 1.289651 0.071536
H -2.650704 -0.975428 1.623997
H -2.864411 -2.410738 0.581491
H -5.497292 0.314423 -1.188427
H -4.305469 -0.729407 -1.942164
H -4.973568 2.509502 -0.248865
H -3.313540 3.003584 0.115361
H -4.876833 -0.374731 2.386932
H -5.970265 0.348167 1.197665
H -0.456667 -1.961316 0.841543
H -0.587869 -0.243999 1.322015
H -3.093415 1.273123 1.880012
H -4.589659 2.153666 2.161842
H -1.407326 -2.715146 -1.248792
H -2.727464 -1.785775 -2.022468
H -1.031849 -1.295909 -2.304521
H 0.946811 -1.334512 -1.145561
H 0.743752 0.405130 -0.772537
H 2.059167 -1.677271 1.124983
H 1.875252 0.069013 1.464998
H 4.444966 -1.599912 1.534737
H 4.027169 0.078623 2.049585
H 3.066467 1.691953 0.273086
H 2.854775 1.082463 -1.415473
H 3.537842 -2.452487 -0.627729
H 3.090637 -1.262447 -1.911226
H 4.774715 -1.354935 -1.320622
H 6.457378 -0.024901 1.744822
H 6.321595 -0.668244 0.082813
H 5.372478 0.868289 -1.647636
H 4.934838 2.517006 -1.106899


