%chk=000040718.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000040718

1 1
 O   -3.869700     -0.3721000       1.476700    
 N    2.486200     -0.1123000      3.9500002E-02
 C    1.223500      0.5759000      0.4036000    
 C    2.343900     -0.8380000      -1.305700    
 C    3.640200      0.8929000     -8.0899999E-02
 C    2.868000      -1.151100       1.103300    
 C   0.8838000       1.595600     -0.6775000    
 C    3.636100      -1.558700      -1.622200    
 C    3.803300       1.624100       1.233700    
 C    1.782000      -2.201400       1.186400    
 C  -0.3829000       2.390700     -0.3571000    
 C   -1.556800       1.521600     -0.2005000    
 C   -3.672200     -9.1300003E-02  8.9699998E-02
 C   -2.510100      0.8023000     -7.1500003E-02
 C   -3.456400      -1.424800     -0.6518000    
 C   -4.934300      0.5985000     -0.4378000    
 C   -2.284500      -2.251900     -0.1278000    
 H    1.293400       1.013800       1.403500    
 H   0.4231000     -0.1664000      0.4281000    
 H    1.466600      -1.490000      -1.293900    
 H    2.201400     -9.1100000E-02  -2.091800    
 H    4.571300      0.3431000     -0.2421000    
 H    3.490400       1.554300     -0.9374000    
 H    3.864500      -1.558000      0.9154000    
 H    2.893200     -0.6481000       2.074500    
 H    1.668700       2.343600     -0.8115000    
 H   0.7060000       1.120100      -1.646700    
 H    3.503200      -2.056100      -2.592400    
 H    4.500900     -0.9085000      -1.766400    
 H    3.888600      -2.366800     -0.9331000    
 H    4.643300       2.322600       1.128800    
 H    2.946200       2.246000       1.502000    
 H    4.069200      0.9846000       2.077500    
 H    2.069300      -2.920000       1.964900    
 H   0.8097000      -1.817200       1.501900    
 H    1.662400      -2.797200      0.2793000    
 H  -0.2302000       2.970100      0.5612000    
 H  -0.5681000       3.113400      -1.160500    
 H   -3.307200      -1.243500      -1.723900    
 H   -4.358300      -2.043200     -0.5536000    
 H   -5.817300     -3.6100000E-02 -0.2995000    
 H   -4.848500      0.8463000      -1.501700    
 H   -5.131100       1.526800      0.1123000    
 H   -2.232300      -3.204600     -0.6651000    
 H   -1.331700      -1.737100     -0.2782000    
 H   -2.395000      -2.475500      0.9375000    
 H   -4.640900     -0.9588000       1.558700    


%chk=000040718-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000040718

1 1
O -1.655557 -1.781300 0.135664
N 2.215586 0.039538 0.410051
C 1.252390 1.227948 0.651068
C 1.527847 -0.968152 -0.561679
C 3.549207 0.517956 -0.218179
C 2.510773 -0.634825 1.774736
C 0.963742 2.129472 -0.570193
C 2.256231 -2.304535 -0.747269
C 4.318864 1.579940 0.577785
C 1.283897 -1.193703 2.507479
C -0.504667 2.668915 -0.508678
C -1.445643 1.534151 -0.467183
C -2.761593 -0.826976 -0.259805
C -2.071826 0.474569 -0.385227
C -3.392245 -1.288043 -1.606925
C -3.819880 -0.791214 0.867994
C -2.405693 -1.372130 -2.786042
H 1.676251 1.811755 1.485208
H 0.310118 0.767369 0.986985
H 0.500866 -1.132466 -0.191160
H 1.450694 -0.443214 -1.528006
H 4.167739 -0.385302 -0.348464
H 3.292295 0.899550 -1.220261
H 3.245077 -1.430685 1.567195
H 3.006789 0.130733 2.393672
H 1.665514 2.981651 -0.613564
H 1.062296 1.573655 -1.519198
H 1.681005 -2.884961 -1.490436
H 3.279730 -2.205102 -1.146681
H 2.287473 -2.911832 0.172622
H 5.206782 1.862013 -0.015389
H 3.737508 2.502509 0.741456
H 4.690220 1.213572 1.548724
H 1.646464 -1.737629 3.397601
H 0.605717 -0.402394 2.865498
H 0.696109 -1.900150 1.899687
H -0.640971 3.316631 0.379189
H -0.689138 3.306007 -1.392872
H -4.215009 -0.590476 -1.854513
H -3.863473 -2.277161 -1.432146
H -4.315742 -1.776009 0.959154
H -4.598451 -0.039685 0.651438
H -3.350255 -0.539212 1.833181
H -2.916943 -1.748568 -3.689192
H -1.986453 -0.378257 -3.024664
H -1.568767 -2.056393 -2.557289
H -2.073978 -2.671062 0.276528


