%chk=000044323.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000044323

0 1
 O   -6.038500      -1.471600      1.4600000E-02
 N   -7.264100      0.5157000      5.4000001E-03
 C   -8.492000      5.2700002E-02  0.5815000    
 C   -8.354800      0.2270000     -0.8785000    
 C   0.2321000      0.4938000      9.3599997E-02
 C   -1.082700     -0.2929000      8.7399997E-02
 C    1.513300     -0.3427000      1.8500000E-02
 C   -2.328300      0.5964000      9.9299997E-02
 C   -3.609200     -0.2445000      7.9899997E-02
 C    2.793600      0.4952000      5.6000002E-02
 C   -4.870100      0.6139000      6.0400002E-02
 C   -6.105400     -0.2448000      2.3700001E-02
 C    4.035900     -0.3928000     -4.6700001E-02
 C    5.349800      0.3942000     -3.9999999E-02
 C    6.630200     -0.4446000     -0.1160000    
 C    7.945000      0.3375000     -4.0500000E-02
 C    9.184300     -0.5576000     -4.0899999E-02
 C    10.46110      0.2650000      4.2100001E-02
 H   -9.006200      0.8097000       1.155300    
 H   -8.466500     -0.9435000      0.9985000    
 H   -8.224800     -0.6442000      -1.504100    
 H   -8.770700       1.107800      -1.344900    
 H   0.2252000       1.194000     -0.7514000    
 H   0.2659000       1.108300       1.002300    
 H   -1.106000     -0.9344000     -0.8023000    
 H   -1.101900     -0.9597000      0.9582000    
 H    1.521900      -1.054400      0.8533000    
 H    1.493800     -0.9371000     -0.9033000    
 H   -2.318300       1.232200      0.9926000    
 H   -2.312000       1.261200     -0.7727000    
 H    2.829000       1.073400      0.9869000    
 H    2.786300       1.213700     -0.7723000    
 H   -3.596400     -0.8989000     -0.8013000    
 H   -3.622900     -0.9017000      0.9588000    
 H   -4.910300       1.248400      0.9533000    
 H   -4.871400       1.265400     -0.8212000    
 H    3.984400     -0.9867000     -0.9676000    
 H    4.042500      -1.104000      0.7884000    
 H    5.344700       1.099900     -0.8802000    
 H    5.387200       1.002200      0.8730000    
 H    6.611600      -1.175700      0.7024000    
 H    6.615400      -1.024300      -1.047400    
 H    7.942500      0.9489000      0.8704000    
 H    7.994500       1.032800     -0.8875000    
 H    9.203100      -1.164600     -0.9534000    
 H    9.144000      -1.248700      0.8089000    
 H    10.48570      0.8601000      0.9606000    
 H    10.54560      0.9456000     -0.8112000    
 H    11.33610     -0.3926000      3.9900001E-02


%chk=000044323-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000044323

0 1
O -6.257130 -1.207241 1.456000
N -7.399097 0.380364 0.190442
C -8.613160 -0.313835 -0.269066
C -7.831463 0.629699 -1.205270
C 0.192404 0.502646 0.166410
C -1.114545 -0.319763 0.224926
C 1.464583 -0.372558 0.105941
C -2.385925 0.556329 0.288820
C -3.686223 -0.272136 0.374795
C 2.772098 0.449762 0.057533
C -4.949731 0.614314 0.426205
C -6.224163 -0.182754 0.715185
C 4.045062 -0.424700 0.002790
C 5.352526 0.398190 -0.038549
C 6.626188 -0.475766 -0.088973
C 7.933741 0.347340 -0.124333
C 9.207627 -0.527127 -0.174344
C 10.508816 0.303755 -0.206322
H -9.559096 0.024715 0.165456
H -8.535273 -1.394293 -0.439353
H -7.250031 0.169220 -2.014377
H -8.230148 1.626065 -1.424134
H 0.166076 1.172240 -0.719000
H 0.246858 1.165859 1.055223
H -1.169918 -0.983960 -0.662971
H -1.087976 -0.988140 1.110543
H 1.487729 -1.045181 0.988870
H 1.413765 -1.032814 -0.785270
H -2.322197 1.227595 1.171246
H -2.419330 1.217813 -0.602682
H 2.820807 1.111372 0.947898
H 2.750682 1.121151 -0.826574
H -3.748487 -0.957799 -0.494456
H -3.671861 -0.914360 1.275079
H -4.841218 1.355718 1.245093
H -5.070662 1.199896 -0.505318
H 3.998990 -1.084167 -0.889292
H 4.064287 -1.098221 0.885225
H 5.334705 1.070716 -0.921845
H 5.397040 1.058764 0.852804
H 6.642107 -1.150380 0.792763
H 6.583870 -1.134207 -0.982060
H 7.977448 1.005470 0.768911
H 7.919645 1.022290 -1.005898
H 9.163834 -1.182795 -1.068104
H 9.219658 -1.202658 0.705441
H 10.593362 0.941688 0.693846
H 10.531823 0.968733 -1.090497
H 11.404103 -0.343847 -0.246959


