%chk=000039310.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000039310

0 1
 O   -1.072400      -3.058000      0.3980000    
 O    1.611400       2.621000      -1.193500    
 N   -3.276600      0.2657000     -0.3651000    
 C   -3.119800      0.4768000       1.080900    
 C   -4.695300      0.1777000     -0.7383000    
 C   -3.821200       1.759500       1.530600    
 C   -5.448300       1.450400     -0.3480000    
 C   -5.294200       1.752500       1.138300    
 C   -2.561200     -0.9384000     -0.7868000    
 C   -1.101900     -0.8232000     -0.4864000    
 C   0.9055000      0.4266000     -0.4992000    
 C  -0.4411000      0.3656000     -0.7957000    
 C    1.615700     -0.6358000      8.6300001E-02
 C  -0.4116000      -1.901100      0.1007000    
 C    2.997600     -0.2440000      0.2607000    
 C   0.9558000      -1.813100      0.3912000    
 C    3.168000       1.068300     -0.2135000    
 C    1.857000       1.538100     -0.7091000    
 C    4.080400     -0.9269000      0.7854000    
 C    4.377500       1.732500     -0.1871000    
 C    5.319600     -0.2756000      0.8239000    
 C    5.466000       1.039700      0.3429000    
 C   -1.110700      -4.058200     -0.6162000    
 H   -2.072200      0.5810000       1.380900    
 H   -3.528200     -0.3748000       1.642000    
 H   -5.172200     -0.6905000     -0.2644000    
 H   -4.786400      4.7200002E-02  -1.823600    
 H   -3.730500       1.870100       2.617200    
 H   -3.325500       2.627600       1.077800    
 H   -5.067800       2.296700     -0.9342000    
 H   -6.510500       1.342700     -0.5950000    
 H   -5.825400      0.9919000       1.723400    
 H   -5.751500       2.719300       1.375400    
 H   -2.663700      -1.077300      -1.871000    
 H   -3.010600      -1.817600     -0.3102000    
 H  -0.9416000       1.207100      -1.261400    
 H    1.477700      -2.649900      0.8445000    
 H    3.986600      -1.940500       1.160600    
 H    4.485400       2.744500     -0.5585000    
 H    6.184300     -0.7930000       1.231900    
 H    6.440600       1.518900      0.3862000    
 H  -0.1018000      -4.429200     -0.8229000    
 H   -1.561100      -3.669100      -1.534800    
 H   -1.720900      -4.890200     -0.2540000    


%chk=000039310-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000039310

0 1
O -0.880144 -3.304539 0.430762
O 1.503621 2.748305 -0.969350
N -3.319711 0.158709 -0.190216
C -3.340487 0.449551 1.268362
C -4.684383 0.190678 -0.775800
C -3.960944 1.832956 1.545773
C -5.344760 1.566990 -0.559085
C -5.381117 1.926915 0.943977
C -2.598939 -1.096863 -0.502251
C -1.089220 -0.959305 -0.324730
C 0.936143 0.401697 -0.381504
C -0.445384 0.281072 -0.581503
C 1.721581 -0.695917 0.087136
C -0.289794 -2.053421 0.115923
C 3.133659 -0.246013 0.219530
C 1.108923 -1.930867 0.338833
C 3.205888 1.124873 -0.172817
C 1.829069 1.595530 -0.569134
C 4.293376 -0.920720 0.638359
C 4.415947 1.833586 -0.153601
C 5.522259 -0.207020 0.659661
C 5.587472 1.152888 0.269520
C -1.228295 -4.145252 -0.729629
H -2.303118 0.413855 1.646762
H -3.922710 -0.336530 1.819061
H -5.339216 -0.602133 -0.323980
H -4.603511 -0.025911 -1.858263
H -3.986669 2.010132 2.638064
H -3.313822 2.610220 1.095669
H -4.761075 2.331055 -1.107890
H -6.366851 1.554230 -0.984327
H -6.052727 1.220427 1.475055
H -5.798920 2.940991 1.088894
H -2.823298 -1.346589 -1.560153
H -2.957301 -1.957651 0.114955
H -1.053767 1.132475 -0.903358
H 1.657609 -2.803700 0.706443
H 4.262757 -1.971881 0.945554
H 4.443780 2.885061 -0.458244
H 6.435885 -0.717688 0.984456
H 6.547796 1.678856 0.296429
H -0.321603 -4.397822 -1.312935
H -1.961574 -3.645667 -1.391503
H -1.671522 -5.060565 -0.309003


