%chk=000139682.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000139682

0 1
 O   0.3355000      -2.051200      8.7399997E-02
 N    3.661200      0.6854000     -1.8700000E-02
 C   -1.167300     -0.2529000      6.0899999E-02
 C    2.575600     -0.1384000     -0.1329000    
 C   0.1918000     -0.8369000      0.1679000    
 C    1.336600      0.1059000      0.3351000    
 C   -1.313600       1.002400     -0.4946000    
 C   -2.246100     -0.9823000      0.5197000    
 C    2.840700      -1.428100     -0.8679000    
 C   -2.592000       1.551300     -0.5955000    
 C   -3.524400     -0.4335000      0.4185000    
 C   -3.697500      0.8333000     -0.1391000    
 C    3.599600       1.944900      0.6592000    
 H    1.113400       1.036900      0.8479000    
 H  -0.4772000       1.577300     -0.8796000    
 H   -2.126100      -1.967500      0.9605000    
 H    2.078500      -1.636400      -1.626200    
 H    3.790300      -1.385800      -1.415200    
 H    2.914800      -2.267200     -0.1683000    
 H    4.545000      0.3782000     -0.4098000    
 H   -2.727800       2.535500      -1.034300    
 H   -4.385200     -0.9920000      0.7748000    
 H   -4.693000       1.260300     -0.2188000    
 H    4.583500       2.424600      0.6326000    
 H    3.324400       1.821800       1.712000    
 H    2.891100       2.626400      0.1766000    


%chk=000139682-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000139682

0 1
O 0.297542 -2.009534 -0.317124
N 3.731228 0.612207 -0.008943
C -1.185820 -0.128926 -0.041562
C 2.680278 -0.274354 -0.150740
C 0.202553 -0.737244 -0.143315
C 1.354614 0.146216 -0.027902
C -1.452996 1.264885 -0.114801
C -2.279835 -1.022232 0.110491
C 3.091274 -1.702701 -0.443992
C -2.777021 1.750052 -0.030881
C -3.601238 -0.540422 0.200755
C -3.855888 0.850488 0.132103
C 3.583168 2.039001 0.281318
H 1.166445 1.199823 0.193230
H -0.637697 1.981201 -0.261308
H -2.055850 -2.093554 0.146871
H 2.602910 -2.066221 -1.362589
H 4.189939 -1.792447 -0.545559
H 2.736891 -2.377668 0.352345
H 4.674401 0.240554 -0.116898
H -2.967778 2.827372 -0.097306
H -4.432624 -1.243966 0.322840
H -4.882510 1.228393 0.199483
H 4.580432 2.503235 0.347693
H 3.058122 2.202571 1.242541
H 3.011259 2.555268 -0.514549


