%chk=000044386.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000044386

0 1
 O   -1.078900      0.3750000      1.8999999E-02
 O   0.1938000      -1.525100      7.8999996E-03
 N    1.154400      0.6098000      7.1999999E-03
 C   -4.776500     -0.2912000      2.1100000E-02
 C   -3.470100      0.4995000      3.1900000E-02
 C   -5.989000      0.6387000     -1.3000000E-02
 C   -2.256700     -0.4195000      2.3300000E-02
 C   -7.291100     -0.1451000     -5.7999998E-02
 C   0.1171000     -0.3026000      1.1300000E-02
 C    2.543500      0.3484000     -1.0000000E-03
 C    3.434400       1.410000     -4.0000002E-03
 C    2.987900     -0.9644000     -5.2000000E-03
 C    4.805200       1.152200     -1.1700000E-02
 C    4.358700      -1.222100     -1.2700000E-02
 C    5.267300     -0.1636000     -1.6000001E-02
 H   -4.827400     -0.9315000      0.9101000    
 H   -4.797800     -0.9518000     -0.8543000    
 H   -3.427600       1.151600      0.9132000    
 H   -3.423200       1.167300     -0.8375000    
 H   -5.987200       1.285200      0.8723000    
 H   -5.933700       1.291700     -0.8919000    
 H   -2.272000      -1.052500     -0.8717000    
 H   -2.263900      -1.057600      0.9148000    
 H   -7.338400     -0.7765000     -0.9509000    
 H   -7.393100     -0.7869000      0.8229000    
 H   -8.144900      0.5393000     -8.0499999E-02
 H   0.8885000       1.591600      1.0500000E-02
 H    3.085200       2.438800     -5.0000002E-04
 H    2.346900      -1.834000     -2.9000000E-03
 H    5.512800       1.976200     -1.4100000E-02
 H    4.720100      -2.246400     -1.6000001E-02
 H    6.334600     -0.3643000     -2.1900000E-02


%chk=000044386-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000044386

0 1
O -1.066963 0.350580 -0.005758
O 0.215400 -1.627743 -0.001968
N 1.181382 0.542975 -0.001676
C -4.839322 -0.275281 -0.008887
C -3.490470 0.482121 -0.007549
C -6.057623 0.676076 -0.008265
C -2.302720 -0.480128 -0.007773
C -7.405301 -0.076742 -0.008895
C 0.142083 -0.373606 -0.002940
C 2.578884 0.280160 0.001271
C 3.452848 1.400819 0.001998
C 3.117147 -1.034234 0.003497
C 4.849281 1.211203 0.004951
C 4.518289 -1.205164 0.006432
C 5.393118 -0.094644 0.007196
H -4.895395 -0.939484 0.878570
H -4.894733 -0.937348 -0.897982
H -3.428527 1.137150 0.882888
H -3.427714 1.138697 -0.896788
H -6.002070 1.338225 0.879580
H -6.001967 1.339471 -0.895167
H -2.291753 -1.127812 -0.904229
H -2.293291 -1.130143 0.886997
H -7.499032 -0.722444 -0.902330
H -7.498971 -0.723924 0.883476
H -8.259556 0.624679 -0.008314
H 0.887453 1.522190 -0.002923
H 3.038807 2.417340 0.000269
H 2.442628 -1.892862 0.002912
H 5.511501 2.084074 0.005492
H 4.927367 -2.221801 0.008132
H 6.478116 -0.242198 0.009482


