%chk=000094343.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000094343

0 1
 O  -0.3093000      -1.170200       1.837800    
 O   -1.821100       2.649900     -0.2973000    
 N  -0.7695000      0.9210000      0.8856000    
 C   -2.498900     -0.6693000      0.9486000    
 C   -3.005700      0.6126000      0.2331000    
 C   -2.663200      -1.756200     -0.1374000    
 C   -3.394600      9.2000000E-02  -1.169000    
 C   -2.333600     -0.9870000      -1.423600    
 C   -4.148900      -1.929100     -0.3670000    
 C   -4.587600     -0.8208000     -0.9855000    
 C   -1.063800     -0.3720000       1.299300    
 C   -1.821600       1.545400      0.2285000    
 C   0.5008000       1.551700       1.115400    
 C    1.494700       1.291100     -1.2800000E-02
 C    2.841700       1.982700      0.2203000    
 C    3.835800       1.783200     -0.9287000    
 C    4.154600      0.3304000      -1.294500    
 C    4.824400     -0.4508000     -0.1623000    
 C    5.035400      -1.915200     -0.5495000    
 C    5.730500      -2.689500      0.5590000    
 H   -3.063000     -0.8818000       1.863400    
 H   -3.839100       1.081500      0.7677000    
 H   -2.097900      -2.679000     -2.6000000E-03
 H   -3.488000      0.8336000      -1.963200    
 H   -1.309500     -0.6023000      -1.460300    
 H   -2.515100      -1.568800      -2.337200    
 H   -4.750600      -2.762800     -4.2199999E-02
 H   -5.608000     -0.5962000      -1.251300    
 H   0.3414000       2.630900       1.221800    
 H   0.9124000       1.176300       2.059500    
 H    1.637900      0.2084000     -0.1054000    
 H    1.068500       1.632900     -0.9643000    
 H    2.675100       3.059700      0.3468000    
 H    3.280300       1.628100       1.159800    
 H    4.768800       2.302300     -0.6767000    
 H    3.439200       2.281100      -1.822500    
 H    4.826200      0.3360000      -2.162500    
 H    3.243900     -0.1835000      -1.621600    
 H    4.206000     -0.4148000      0.7412000    
 H    5.786400      1.4100000E-02  8.3999999E-02
 H    4.069600      -2.386100     -0.7671000    
 H    5.639400      -1.975500      -1.462300    
 H    5.871400      -3.733300      0.2614000    
 H    6.714600      -2.262900      0.7781000    
 H    5.137000      -2.675600       1.478800    


%chk=000094343-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000094343

0 1
O -0.402390 -1.127863 1.969962
O -1.858699 2.774673 -0.178556
N -0.862681 0.951206 0.946554
C -2.644876 -0.640937 0.966657
C -3.130602 0.660557 0.251052
C -2.778099 -1.746815 -0.166867
C -3.490013 0.155989 -1.212008
C -2.376330 -0.917857 -1.428424
C -4.288271 -1.892191 -0.407885
C -4.713803 -0.754729 -1.032187
C -1.195069 -0.359856 1.371122
C -1.930090 1.610575 0.286319
C 0.470506 1.551838 1.133564
C 1.429353 1.246066 -0.039124
C 2.816273 1.889437 0.187052
C 3.793616 1.698936 -1.000284
C 4.168962 0.229871 -1.321304
C 4.883195 -0.511091 -0.166991
C 5.367311 -1.924584 -0.565413
C 6.074204 -2.666971 0.589338
H -3.225305 -0.919528 1.860679
H -3.996837 1.150363 0.723867
H -2.214178 -2.665239 0.048117
H -3.573020 0.968329 -1.947493
H -1.347989 -0.514906 -1.396511
H -2.519414 -1.484180 -2.362391
H -4.897891 -2.726037 -0.050603
H -5.739700 -0.475843 -1.285869
H 0.326876 2.642831 1.233907
H 0.883164 1.149237 2.076265
H 1.528629 0.149091 -0.143307
H 0.990139 1.633372 -0.979483
H 2.682135 2.976907 0.362125
H 3.265550 1.478203 1.113433
H 4.724778 2.262336 -0.784644
H 3.348914 2.164263 -1.904086
H 4.832701 0.224704 -2.210590
H 3.263455 -0.338847 -1.615529
H 4.205538 -0.599372 0.706468
H 5.752612 0.091148 0.171941
H 4.499585 -2.521212 -0.914189
H 6.055733 -1.842027 -1.431479
H 6.414838 -3.671706 0.277943
H 6.959521 -2.102723 0.938902
H 5.394669 -2.793218 1.453251


