%chk=000155352.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000155352

0 1
 O   0.9263000       1.693800      0.6569000    
 N    1.399800     -0.4609000     -0.1872000    
 C   -5.134500     -0.1557000     -5.6699999E-02
 C   -3.612000      4.6300001E-02  1.8999999E-02
 C   -5.823800      0.6723000       1.049300    
 C   -5.471100      -1.649400      0.1429000    
 C   -5.756200      0.2758000      -1.404200    
 C   -2.965200     -0.3084000       1.176300    
 C   -2.969000      0.5708000      -1.074000    
 C  -0.8953000      0.4043000      0.1543000    
 C   -1.583900     -0.1262000       1.245200    
 C   -1.587800      0.7528000      -1.005200    
 C   0.5446000      0.5960000      0.2263000    
 C    2.839200     -0.2904000     -0.1193000    
 C   0.8372000      -1.726700     -0.6840000    
 C    3.343600      0.9717000     -0.2729000    
 C    3.607600      -1.401600      9.4400004E-02
 C    5.551100      3.1099999E-02  8.6000003E-03
 C    4.727300       1.135600     -0.2077000    
 C    4.991200      -1.237600      0.1597000    
 C    7.030700      0.2063000      7.8400001E-02
 H   -6.914700      0.5794000      0.9896000    
 H   -5.532600      0.3511000       2.055300    
 H   -5.575400       1.736500      0.9585000    
 H   -5.173200      -2.017000       1.130900    
 H   -6.549100      -1.826600      4.9800001E-02
 H   -4.966000      -2.271100     -0.6059000    
 H   -6.840800      0.1102000      -1.402600    
 H   -5.603900       1.343200      -1.603700    
 H   -5.353800     -0.3009000      -2.245500    
 H   -3.479500     -0.7227000       2.036500    
 H   -3.455300      0.8580000      -1.997400    
 H   -1.054000     -0.4014000       2.153500    
 H   -1.060200       1.167200      -1.860800    
 H    1.497000      -2.160800      -1.442000    
 H  -0.1393000      -1.589700      -1.151100    
 H   0.7299000      -2.413500      0.1610000    
 H    2.764200       1.847900     -0.5330000    
 H    3.196000      -2.395300      0.2339000    
 H    5.153700       2.126100     -0.3448000    
 H    5.622400      -2.104900      0.3347000    
 H    7.552000     -0.6899000     -0.2748000    
 H    7.360200       1.038100     -0.5535000    
 H    7.336900      0.4064000       1.110000    


%chk=000155352-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000155352

0 1
O 0.900683 1.741939 -1.110861
N 1.458949 -0.471613 -0.494315
C -5.280805 -0.124973 0.084661
C -3.762986 0.034516 -0.166359
C -5.651391 0.552902 1.439000
C -5.636743 -1.641360 0.153436
C -6.135771 0.524494 -1.033568
C -2.830521 -0.508111 0.761668
C -3.235993 0.722515 -1.290675
C -0.927597 0.290552 -0.568637
C -1.441365 -0.391338 0.565920
C -1.845192 0.862954 -1.481282
C 0.542973 0.573929 -0.757918
C 2.866631 -0.259427 -0.251289
C 1.008461 -1.880605 -0.596010
C 3.481000 1.027747 -0.297412
C 3.687885 -1.372455 0.086838
C 5.676521 0.068319 0.327555
C 4.850867 1.172006 -0.007078
C 5.060673 -1.204074 0.368164
C 7.156109 0.249058 0.617170
H -6.734426 0.442929 1.635557
H -5.105423 0.100962 2.286223
H -5.410571 1.631379 1.417878
H -5.085207 -2.155930 0.960560
H -6.718295 -1.769129 0.347772
H -5.393680 -2.146684 -0.799212
H -7.208384 0.380528 -0.808937
H -5.953954 1.612401 -1.109185
H -5.936190 0.067653 -2.020561
H -3.191855 -1.024662 1.658320
H -3.912430 1.166467 -2.026613
H -0.752238 -0.805402 1.311075
H -1.454443 1.431043 -2.332187
H 1.644473 -2.419551 -1.321621
H -0.027036 -1.912648 -0.956449
H 1.058258 -2.405217 0.376302
H 2.883974 1.895694 -0.574426
H 3.272839 -2.380783 0.154130
H 5.289426 2.176991 -0.051947
H 5.658800 -2.086035 0.628402
H 7.617004 -0.690001 0.969668
H 7.706618 0.572984 -0.286965
H 7.324652 1.020238 1.391909


