%chk=000075181.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000075181

0 1
 O    2.385900       2.838000     -0.3879000    
 N   0.2107000      0.2059000      0.2778000    
 N   0.4827000       1.564400      0.1507000    
 C    1.428600     -0.4389000      0.1361000    
 C  -0.8342000     -0.2372000       1.164500    
 C    2.443300      0.4685000     -0.1755000    
 C   -2.181900     -0.2085000      0.5034000    
 C    1.812200       1.789000     -0.1660000    
 C    1.739300      -1.780900      0.2557000    
 C    3.759300      0.1099000     -0.3846000    
 C    3.065600      -2.182100      4.7100000E-02
 C    4.065400      -1.245100     -0.2725000    
 C   -2.638000      -1.331400     -0.1771000    
 C   -2.960100      0.9408000      0.5780000    
 C   -3.889900      -1.304700     -0.7918000    
 C   -4.212000      0.9675000     -3.6499999E-02
 C   -4.676900     -0.1552000     -0.7214000    
 H  -0.8486000      0.3817000       2.072300    
 H  -0.6535000      -1.255300       1.532500    
 H  -0.2674000       2.238600      0.2352000    
 H   0.9840000      -2.523500      0.4898000    
 H    4.524700      0.8407000     -0.6161000    
 H    3.327000      -3.233900      0.1312000    
 H   -2.032400      -2.231200     -0.2402000    
 H   -2.609200       1.821000       1.109300    
 H    5.086500      -1.583200     -0.4272000    
 H   -4.251600      -2.178600      -1.325700    
 H   -4.824900       1.862300      1.8300001E-02
 H   -5.651700     -0.1343000      -1.200000    


%chk=000075181-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000075181

0 1
O 2.024597 2.463515 -1.600676
N 0.224535 -0.159473 0.031719
N 0.344283 1.150069 -0.541426
C 1.545504 -0.627211 0.182560
C -0.826540 -0.334117 1.057716
C 2.449763 0.291045 -0.425697
C -2.227437 -0.138740 0.485349
C 1.674711 1.441603 -0.942307
C 2.008489 -1.815813 0.795053
C 3.832477 0.020809 -0.473187
C 3.395713 -2.068120 0.749663
C 4.304012 -1.168763 0.119269
C -2.576391 -0.686036 -0.775723
C -3.206264 0.565082 1.227616
C -3.885858 -0.534654 -1.282054
C -4.519777 0.711105 0.724908
C -4.862739 0.161621 -0.531464
H -0.658806 0.360130 1.908044
H -0.712353 -1.365765 1.439414
H -0.488649 1.563357 -0.965087
H 1.328787 -2.526815 1.275237
H 4.508692 0.732954 -0.957252
H 3.783365 -2.984657 1.208666
H -1.815313 -1.221375 -1.355321
H -2.941617 1.002808 2.198178
H 5.372387 -1.407102 0.101584
H -4.145105 -0.958310 -2.258632
H -5.269005 1.258021 1.307782
H -5.878560 0.279130 -0.924535


