%chk=000045984.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000045984

1 1
 O  -0.6426000       2.178500      4.8000002E-03
 N   -1.956400     -0.3142000     -3.5000001E-03
 C  -0.4299000     -0.2019000       0.000000    
 C   -2.339800      -1.791300     -8.6000003E-03
 C   -2.498000      0.3918000      -1.243400    
 C   -2.585900      0.3365000       1.226600    
 C   0.1098000       1.040700      4.6000001E-03
 C   0.2584000      -1.370700     -2.2000000E-03
 C    1.502000       1.126400      7.3000002E-03
 C    1.650500      -1.285000      7.9999998E-04
 C    2.272300     -3.6400001E-02  5.5000000E-03
 C    2.185600       2.453800      1.0700000E-02
 C    2.474000      -2.528300     -2.6000000E-03
 H   -2.002600      -2.275000      0.9148000    
 H   -3.435600      -1.839500     -1.9500000E-02
 H   -1.991600      -2.267500     -0.9317000    
 H   -1.923700      6.3500002E-02  -2.115900    
 H   -3.543600      8.8699996E-02  -1.365700    
 H   -2.473000       1.476900      -1.132900    
 H   -2.470800       1.421100       1.200800    
 H   -3.654600      9.7199999E-02   1.227900    
 H   -2.109300     -8.2000002E-02   2.118700    
 H  -0.1389000      -2.375300     -4.3000001E-03
 H    3.357800      2.8500000E-02  8.1000002E-03
 H    1.921700       3.026700     -0.8844000    
 H    1.917800       3.024200      0.9064000    
 H    3.276100       2.347000      1.3100000E-02
 H    3.541100      -2.311100     -0.1187000    
 H    2.342000      -3.071000      0.9391000    
 H    2.180400      -3.178300     -0.8337000    
 H  -8.5299999E-02   2.971600      8.2999999E-03


%chk=000045984-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000045984

1 1
O -0.683948 2.186569 0.011285
N -2.001390 -0.336787 -0.015872
C -0.478136 -0.237442 -0.005128
C -2.494609 -1.783452 -0.029212
C -2.563092 0.347662 -1.276370
C -2.579648 0.329824 1.246777
C 0.138368 1.043160 0.008238
C 0.320659 -1.399408 -0.010799
C 1.554127 1.156908 0.016325
C 1.734722 -1.312993 -0.001347
C 2.324529 -0.026766 0.010662
C 2.200757 2.530368 0.028610
C 2.582507 -2.571121 0.002927
H -2.147116 -2.303507 0.874784
H -3.594653 -1.759269 -0.038927
H -2.130905 -2.292294 -0.933240
H -2.145168 -0.160521 -2.157999
H -3.660279 0.254224 -1.262881
H -2.265527 1.403541 -1.264198
H -2.278197 1.384597 1.255669
H -3.676813 0.240747 1.215359
H -2.176968 -0.193785 2.126469
H -0.127785 -2.395752 -0.022561
H 3.416712 0.059185 0.015741
H 1.937631 3.128065 -0.867082
H 1.928544 3.116205 0.929418
H 3.298262 2.442268 0.033679
H 3.653179 -2.335143 -0.107939
H 2.463570 -3.133430 0.947768
H 2.303489 -3.252752 -0.820810
H -0.144921 3.016702 0.021053


