%chk=000043327.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000043327

0 1
 O  -0.6534000      0.3282000     -0.3759000    
 O    3.951700     -0.6832000     -0.8042000    
 O   4.6900000E-02   2.404000      0.2807000    
 N   -4.323900     -5.3900000E-02 -0.3986000    
 N    1.557200      0.7123000     -0.3003000    
 C   -5.159500     -0.9064000      -1.252800    
 C   -4.684100     -9.5500000E-02   1.025200    
 C   -6.654200     -0.5711000      -1.261100    
 C   -5.931900      0.7346000       1.325200    
 C   -7.367700     -0.9905000      1.7600000E-02
 C   -7.262700      8.2999999E-03   1.162500    
 C   -2.914900     -0.4264000     -0.5694000    
 C   -2.004800      0.7380000     -0.2128000    
 C   0.3093000       1.267500     -9.3400002E-02
 C    3.878600      -2.987400     -0.1431000    
 C    4.589500      -1.652100      2.4900001E-02
 C    2.820500       1.323200     -0.1305000    
 C    4.501900      -4.071600      0.7316000    
 C    3.994000      0.6134000     -0.3857000    
 C    3.762100      -5.392600      0.5934000    
 C    2.886700       2.649400      0.2969000    
 C    5.233400       1.230000     -0.2136000    
 C    4.126100       3.265700      0.4691000    
 C    5.299400       2.556100      0.2140000    
 H   -5.021000      -1.965200     -0.9957000    
 H   -4.818400     -0.7914000      -2.290400    
 H   -3.889100      0.3464000       1.634500    
 H   -4.794600      -1.126400       1.385700    
 H   -6.817900      0.4918000      -1.475700    
 H   -7.107100      -1.125300      -2.093600    
 H   -5.875200       1.097000       2.360100    
 H   -5.931000       1.640400      0.7041000    
 H   -8.432800      -1.137900     -0.2016000    
 H   -6.994800      -1.968400      0.3473000    
 H   -7.496100     -0.5214000       2.095100    
 H   -8.049400      0.7656000       1.050400    
 H   -2.653500      -1.322500      9.3000000E-03
 H   -2.700400     -0.6846000      -1.615600    
 H   -2.138700       1.065200      0.8225000    
 H   -2.206400       1.587200     -0.8776000    
 H    2.816600      -2.864300      0.1045000    
 H    3.907300      -3.286100      -1.198300    
 H    1.575800     -0.2555000     -0.6129000    
 H    4.553000      -1.345900       1.078500    
 H    5.638700      -1.741600     -0.2789000    
 H    4.483200      -3.759800       1.782500    
 H    5.552700      -4.215100      0.4544000    
 H    3.787000      -5.749500     -0.4412000    
 H    4.226000      -6.154900       1.227200    
 H    2.715300      -5.289800      0.8966000    
 H    2.025900       3.265400      0.5148000    
 H    6.156200      0.6936000     -0.4169000    
 H    4.179100       4.298500      0.8014000    
 H    6.264300       3.036800      0.3461000    


%chk=000043327-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000043327

0 1
O -0.756008 0.296095 -0.178513
O 3.553145 -0.814903 0.112706
O -0.088031 2.553078 -0.056450
N -4.468541 -0.166531 -0.276115
N 1.449307 0.748088 0.000307
C -5.282826 -1.162003 -1.016175
C -4.993517 0.189831 1.072694
C -6.755576 -0.756968 -1.257816
C -6.207846 1.146753 1.015172
C -7.645843 -0.803765 0.009463
C -7.601308 0.471799 0.891749
C -3.027197 -0.523823 -0.247714
C -2.168605 0.747114 -0.291796
C 0.198085 1.328623 -0.075032
C 4.084236 -3.178241 0.096031
C 4.673119 -1.769637 0.196497
C 2.695649 1.408622 0.123072
C 5.174127 -4.270492 0.205314
C 3.846717 0.562689 0.186746
C 4.589413 -5.695262 0.098883
C 2.862851 2.811127 0.186542
C 5.137293 1.112454 0.312694
C 4.161299 3.358126 0.312082
C 5.293087 2.518753 0.375445
H -5.285503 -2.158412 -0.496721
H -4.793616 -1.313027 -1.997797
H -4.175291 0.698977 1.614134
H -5.242288 -0.725891 1.668154
H -6.789939 0.245683 -1.726355
H -7.161402 -1.471626 -2.001798
H -6.209929 1.781377 1.923796
H -6.032186 1.823266 0.158000
H -8.698657 -0.988799 -0.281868
H -7.339563 -1.684947 0.610639
H -7.977388 0.209822 1.901159
H -8.309380 1.221698 0.485829
H -2.747164 -1.128056 0.647539
H -2.789036 -1.138681 -1.134320
H -2.393876 1.439874 0.538556
H -2.307785 1.289136 -1.243103
H 3.335323 -3.313739 0.900160
H 3.547203 -3.278156 -0.866853
H 1.491500 -0.274918 -0.030872
H 5.203755 -1.626366 1.160897
H 5.384571 -1.574603 -0.632834
H 5.710598 -4.162213 1.169929
H 5.930131 -4.121506 -0.592537
H 4.070687 -5.839378 -0.867309
H 5.381771 -6.461725 0.175262
H 3.856224 -5.884387 0.905091
H 1.979022 3.450741 0.137869
H 6.017061 0.464465 0.362544
H 4.280613 4.445585 0.360146
H 6.296412 2.946579 0.473178


