%chk=000128358.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000128358

0 1
 O    3.377400      0.3783000      -1.813400    
 N    1.330200       1.898600      0.4206000    
 C  -1.6700000E-02   2.008800      0.2426000    
 C    2.001400       3.178100      0.5371000    
 C  -0.4335000       3.424900      0.2231000    
 C   0.9222000       4.150000      2.6900001E-02
 C    1.730400      0.6116000      0.4316000    
 C  -0.5321000      0.7443000      0.1397000    
 C   0.5814000     -0.1455000      0.2601000    
 C    3.144700      0.2255000      0.6047000    
 C   -1.926600      0.4738000     -5.2400000E-02
 C   0.6022000      -1.582000      0.2201000    
 C   -2.765400      0.3060000       1.051000    
 C   -2.449400      0.3773000      -1.343200    
 C   0.7702000      -2.242000     -0.9965000    
 C   0.4543000      -2.313400       1.397800    
 C    3.874500      0.1160000     -0.7231000    
 C   -4.122300      4.2399999E-02  0.8642000    
 C   -3.806500      0.1138000      -1.530000    
 C   0.7901000      -3.636300      -1.035500    
 C   0.4742000      -3.707600       1.358700    
 C   -4.642800     -5.3599998E-02 -0.4262000    
 C   0.6421000      -4.369000      0.1420000    
 H    2.902800       3.184200     -7.9800002E-02
 H    2.236500       3.335700       1.593600    
 H   -1.129100       3.655600     -0.5881000    
 H  -0.8859000       3.705200       1.179900    
 H    1.079500       4.331800      -1.044600    
 H   0.9564000       5.120000      0.5318000    
 H    3.685900      0.9513000       1.221400    
 H    3.227500     -0.7454000       1.104700    
 H   -2.375800      0.3769000       2.063900    
 H   -1.811200      0.5043000      -2.214800    
 H   0.8861000      -1.685700      -1.923600    
 H   0.3218000      -1.813200       2.354200    
 H    4.924600     -0.2157000     -0.6499000    
 H   -4.773500     -8.8299997E-02   1.723400    
 H   -4.211900      3.8600001E-02  -2.534700    
 H   0.9207000      -4.151300      -1.982800    
 H   0.3588000      -4.278300       2.275500    
 H   -5.699300     -0.2589000     -0.5717000    
 H   0.6575000      -5.454500      0.1117000    


%chk=000128358-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000128358

0 1
O 3.903217 1.501102 -1.674588
N 1.397282 1.919849 0.403184
C 0.009882 2.016134 0.418484
C 2.082794 3.222705 0.514889
C -0.400642 3.463231 0.545197
C 0.926607 4.223414 0.196843
C 1.794707 0.595621 0.233769
C -0.529974 0.728440 0.253290
C 0.612359 -0.177785 0.134665
C 3.226673 0.154573 0.294482
C -1.972686 0.424728 0.133403
C 0.584956 -1.656052 0.016438
C -2.931302 1.172896 0.876385
C -2.456410 -0.586915 -0.744804
C 1.364478 -2.331129 -0.965549
C -0.213337 -2.443944 0.893688
C 4.156907 0.613699 -0.827191
C -4.314367 0.924105 0.746823
C -3.838470 -0.841246 -0.868781
C 1.359174 -3.741276 -1.058151
C -0.226005 -3.851058 0.796659
C -4.777899 -0.087874 -0.125843
C 0.564100 -4.509082 -0.176522
H 2.909694 3.288959 -0.210319
H 2.482671 3.365889 1.538474
H -1.227151 3.734635 -0.134232
H -0.733527 3.704296 1.574907
H 0.941945 4.459045 -0.881509
H 1.033758 5.167759 0.756118
H 3.720914 0.488881 1.237757
H 3.269966 -0.951025 0.333780
H -2.583556 1.941200 1.576860
H -1.744050 -1.164963 -1.341735
H 1.944790 -1.739619 -1.684200
H -0.822105 -1.940853 1.652531
H 5.153445 0.097561 -0.824581
H -5.029438 1.513104 1.333105
H -4.183641 -1.624646 -1.553435
H 1.962479 -4.237571 -1.827202
H -0.849567 -4.435921 1.482559
H -5.851013 -0.286206 -0.225185
H 0.553742 -5.602364 -0.250463


