%chk=000051168.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000051168

0 1
 O    4.564000     -0.9611000     -8.5699998E-02
 N    4.051800      8.8500001E-02 -0.5000000    
 C   -1.547400      0.1543000     -0.1344000    
 C  -0.1033000      0.1399000     -0.2225000    
 C   -2.250500     -0.9338000      0.3861000    
 C   0.6655000      0.6148000      0.8402000    
 C    2.057700      0.6008000      0.7548000    
 C   0.5200000     -0.3490000      -1.370500    
 C   -2.241700       1.280700     -0.5799000    
 C    2.681100      0.1119000     -0.3934000    
 C    1.912100     -0.3630000      -1.455900    
 C   -3.642900     -0.8953000      0.4610000    
 C   -1.543000      -2.157500      0.8737000    
 C   -3.634100       1.318900     -0.5051000    
 C    2.845400       1.119000       1.916400    
 C   -4.334600      0.2309000      1.5300000E-02
 H   0.1773000      0.9949000       1.735400    
 H  -6.4499997E-02 -0.7232000      -2.207800    
 H   -1.712900       2.138800     -0.9886000    
 H    2.379700     -0.7481000      -2.359500    
 H   -4.205400      -1.733600      0.8635000    
 H  -0.9751000      -2.626500      6.3800000E-02
 H  -0.8682000      -1.912700       1.700400    
 H   -2.246400      -2.909900       1.247700    
 H   -4.172800       2.195800     -0.8520000    
 H    3.451700      0.3200000       2.355900    
 H    3.497900       1.941400       1.604300    
 H    2.196500       1.507800       2.708900    
 H   -5.418700      0.2609000      7.3600002E-02


%chk=000051168-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000051168

0 1
O 4.791796 -0.839757 -0.910115
N 4.225719 -0.006392 -0.104356
C -1.553026 0.058557 0.034770
C -0.062568 -0.013550 -0.005097
C -2.390565 -1.102609 0.102399
C 0.710500 0.856794 0.814184
C 2.122971 0.862563 0.792388
C 0.622771 -0.904841 -0.886504
C -2.159248 1.348056 0.010697
C 2.774051 -0.045288 -0.103245
C 2.020730 -0.918083 -0.937605
C -3.797138 -0.918304 0.129636
C -1.846326 -2.521136 0.194007
C -3.558254 1.507870 0.028425
C 2.910479 1.791755 1.695067
C -4.385640 0.363555 0.085069
H 0.191496 1.528574 1.507567
H 0.043787 -1.554170 -1.550112
H -1.515530 2.232246 -0.058477
H 2.567581 -1.581675 -1.616885
H -4.440435 -1.804092 0.197492
H -1.707465 -2.971076 -0.808137
H -0.872040 -2.564702 0.708685
H -2.553235 -3.168168 0.741962
H -3.997065 2.510688 -0.007296
H 3.548345 1.223365 2.394648
H 3.592509 2.434341 1.112283
H 2.231111 2.433256 2.281316
H -5.476110 0.467822 0.102931


