%chk=000100280.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000100280

0 1
 O    2.524400      -1.315400     -0.8268000    
 O  -2.1600001E-02  0.3892000       2.427100    
 O   0.1428000     -1.6700000E-02  -2.346500    
 O    3.279500       2.394300     -3.6499999E-02
 N    1.633700       1.347000       1.172200    
 N    1.715800       1.146400      -1.160900    
 C   1.3800000E-02 -0.1624000      6.8200000E-02
 C   0.3758000      -1.647700      0.2073000    
 C   -1.482400     -3.3300001E-02  5.5000000E-03
 C    1.882600      -1.856100      0.3247000    
 C   0.5163000      0.5468000       1.329100    
 C   0.6060000      0.3263000      -1.256700    
 C    2.217500      -3.338200      0.4243000    
 C   -2.060400       1.228800     -4.6900000E-02
 C   -2.270100      -1.177700      1.9999999E-04
 C    2.281600       1.671800     -9.4999997E-03
 C   -3.448800       1.348800     -0.1053000    
 C   -3.658600      -1.057700     -5.8400001E-02
 C   -4.247900      0.2057000     -0.1111000    
 H   4.8000000E-02  -2.212000     -0.6780000    
 H  -7.5099997E-02  -2.094600       1.104500    
 H    2.294400      -1.355000       1.205800    
 H    1.871400      -3.884300     -0.4602000    
 H    3.302600      -3.479700      0.4739000    
 H    1.766700      -3.789600       1.313400    
 H    2.005400       1.769900       2.018200    
 H    2.148100       1.421300      -2.038600    
 H   -1.452300       2.129400     -4.6500001E-02
 H   -1.905000      -2.196200      3.2800000E-02
 H    2.248600      -1.838800      -1.598900    
 H   -3.907700       2.332300     -0.1473000    
 H   -4.282400      -1.946800     -6.4400002E-02
 H   -5.329000      0.2990000     -0.1572000    


%chk=000100280-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000100280

0 1
O 2.777960 -1.532861 -0.327295
O 0.905961 0.432509 2.295568
O 0.625854 -0.988722 -2.288994
O 2.115030 3.259488 -1.179721
N 1.412869 1.841901 0.541523
N 1.242809 1.155771 -1.708833
C 0.202417 -0.299221 0.050665
C 0.427396 -1.777395 0.496253
C -1.337773 -0.005808 0.022437
C 1.917671 -2.138487 0.719206
C 0.877005 0.651854 1.056440
C 0.732759 -0.110481 -1.388245
C 2.129967 -3.657293 0.805024
C -1.972712 0.730927 1.054788
C -2.132295 -0.549795 -1.020955
C 1.615785 2.168927 -0.811009
C -3.371666 0.929466 1.035058
C -3.529796 -0.351337 -1.033599
C -4.157027 0.391443 -0.007865
H -0.013987 -2.426083 -0.282789
H -0.126155 -1.943571 1.436872
H 2.276134 -1.654465 1.642624
H 1.808662 -4.156066 -0.129899
H 3.195881 -3.885477 0.976062
H 1.544091 -4.089384 1.636925
H 1.776370 2.519380 1.219846
H 1.474796 1.327835 -2.692242
H -1.391942 1.137733 1.888108
H -1.660511 -1.124088 -1.825109
H 2.581192 -1.973440 -1.195580
H -3.845038 1.501932 1.840363
H -4.126697 -0.777274 -1.847609
H -5.241309 0.546883 -0.020519


