%chk=000170429.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000170429

0 1
 O   -6.571800      -1.121600     -0.2926000    
 N    1.791300     -0.7111000     -5.1899999E-02
 N  -0.7931000      0.7757000     -2.4599999E-02
 N   -1.739300       1.590600      2.0000001E-03
 C    2.987700       1.363000      0.1095000    
 C    3.922300      0.1629000      5.4200001E-02
 C    1.598500      0.6695000      3.0400001E-02
 C    3.156300      -1.014900     -4.0399998E-02
 C    3.169000       2.122100       1.431200    
 C    3.231100       2.286500      -1.092100    
 C    5.308400      0.1270000      8.4200002E-02
 C    3.784300      -2.249000     -0.1066000    
 C   0.8015000      -1.762500     -0.1501000    
 C   0.4401000       1.346800      4.2900000E-02
 C    5.937200      -1.116200      1.7800000E-02
 C    5.181500      -2.294200     -7.6800004E-02
 C   -2.963000      0.9027000     -7.2600000E-02
 C   -3.594800      0.4897000       1.096000    
 C   -3.533100      0.6411000      -1.314500    
 C   -4.809400     -0.1924000       1.022100    
 C   -4.747700     -4.0700000E-02  -1.388300    
 C   -5.385800     -0.4577000     -0.2200000    
 C   -7.170900      -1.517400      0.9403000    
 H    2.993000       1.472500       2.297200    
 H    4.185600       2.521600       1.525600    
 H    2.477500       2.968900       1.505300    
 H    4.249900       2.691100      -1.084300    
 H    3.099200       1.755300      -2.042600    
 H    2.541900       3.138300      -1.089300    
 H    5.895000       1.036200      0.1571000    
 H    3.228600      -3.177800     -0.1719000    
 H   0.5075000      -2.101100      0.8487000    
 H    1.164200      -2.627900     -0.7148000    
 H  -9.4999999E-02  -1.438400     -0.6849000    
 H   0.4736000       2.432500      0.1121000    
 H    7.022000      -1.174400      3.9700001E-02
 H    5.689500      -3.253900     -0.1256000    
 H   -3.152200      0.6935000       2.067400    
 H   -3.043100      0.9629000      -2.229500    
 H   -5.250800     -0.4870000       1.968100    
 H   -5.192200     -0.2440000      -2.358800    
 H   -8.105900      -2.031600      0.6950000    
 H   -7.434700     -0.6508000       1.556100    
 H   -6.543700      -2.234800       1.480300    


%chk=000170429-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000170429

0 1
O -7.082950 -0.399547 0.144236
N 1.961014 -0.768924 0.253385
N -0.741962 0.621190 -0.083272
N -1.755198 1.453997 -0.293391
C 3.073846 1.304955 -0.198405
C 4.071069 0.174583 0.069399
C 1.715008 0.571748 -0.051049
C 3.355695 -1.021690 0.329561
C 3.209900 2.440275 0.857510
C 3.244072 1.881315 -1.633951
C 5.472100 0.170767 0.088174
C 4.008343 -2.237834 0.612889
C 0.966637 -1.825889 0.475193
C 0.499564 1.227075 -0.213257
C 6.154078 -1.044263 0.371100
C 5.425855 -2.229651 0.629367
C -3.046443 0.869658 -0.156010
C -3.322556 -0.478941 0.209004
C -4.142715 1.745975 -0.407907
C -4.647971 -0.939786 0.319099
C -5.466905 1.296132 -0.302474
C -5.726392 -0.050207 0.062667
C -7.409198 -1.775249 0.526211
H 3.089649 2.045846 1.881238
H 4.206865 2.911408 0.781059
H 2.444578 3.219875 0.694177
H 4.241333 2.346242 -1.739554
H 3.149176 1.086986 -2.394247
H 2.479175 2.651389 -1.839356
H 6.040567 1.086596 -0.111238
H 3.451836 -3.158402 0.813925
H 1.067943 -2.238810 1.497132
H 1.112524 -2.646224 -0.253278
H -0.034168 -1.386326 0.348913
H 0.524615 2.299442 -0.459968
H 7.248840 -1.063826 0.389536
H 5.964410 -3.159034 0.846115
H -2.483881 -1.153540 0.406316
H -3.918755 2.780950 -0.686131
H -4.834276 -1.980401 0.602974
H -6.314703 1.960562 -0.493963
H -8.508212 -1.818881 0.530829
H -7.021997 -2.015568 1.535573
H -7.010209 -2.502975 -0.207134


