%chk=000042315.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000042315

0 1
 O    2.703900      -1.432800     -0.6824000    
 O  -0.3614000      -2.944600      0.2243000    
 N   0.2351000     -0.7068000      0.4707000    
 N   -3.273600      0.4519000     -2.6400000E-02
 C   -1.104900     -0.2734000      0.8460000    
 C   -1.926800      3.5200000E-02 -0.4017000    
 C    1.269500      0.2572000      0.2987000    
 C    1.981000      -2.374600      9.2699997E-02
 C   0.4928000      -2.058800      0.2327000    
 C    2.479400     -0.1445000     -0.2788000    
 C   -3.948900     -0.6065000      0.7261000    
 C   -4.052300      0.8073000      -1.213800    
 C    1.106800       1.608600      0.6360000    
 C    2.197300      -3.744200     -0.5410000    
 C    2.132500       2.528600      0.3998000    
 C    3.497000      0.7777000     -0.5354000    
 C   -5.329100     -0.1623000       1.180200    
 C   -3.368500       1.905500      -2.010300    
 C    3.325000       2.114400     -0.1876000    
 C    1.945100       3.961800      0.7701000    
 H   -1.522400      -1.126300       1.389300    
 H   -1.090600      0.5458000       1.569600    
 H   -1.397100      0.8329000     -0.9318000    
 H   -1.949500     -0.8350000      -1.071500    
 H    2.408100      -2.398600       1.105300    
 H   -4.025500      -1.537700      0.1510000    
 H   -3.424800     -0.8323000       1.658000    
 H   -4.231300     -5.9999999E-02  -1.861700    
 H   -5.027600       1.213900     -0.9271000    
 H   0.1906000       1.989400       1.074000    
 H    1.774800      -3.775900      -1.551800    
 H    3.267000      -3.960100     -0.6360000    
 H    1.732600      -4.540200      4.9400002E-02
 H    4.425100      0.4588000      -1.002100    
 H   -5.303800      0.8269000       1.650300    
 H   -6.054900     -0.1491000      0.3613000    
 H   -5.715200     -0.8672000       1.925500    
 H   -3.039300       2.730700      -1.369400    
 H   -2.514500       1.536300      -2.586800    
 H   -4.074500       2.322200      -2.737900    
 H    4.124500       2.823200     -0.3853000    
 H    1.400700       4.052500       1.716200    
 H    2.906200       4.470000      0.9036000    
 H    1.383800       4.481700     -1.2500000E-02


%chk=000042315-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000042315

0 1
O 2.723163 -1.640316 -0.609183
O -0.244829 -3.046505 0.901610
N 0.295971 -0.796935 0.556140
N -3.289687 0.299220 -0.132186
C -1.106655 -0.396795 0.831666
C -1.896084 -0.078537 -0.461348
C 1.273691 0.180536 0.181735
C 2.108109 -2.498464 0.442007
C 0.616500 -2.157035 0.632571
C 2.488569 -0.264357 -0.412505
C -4.183091 -0.881836 0.032317
C -3.852910 1.342006 -1.029737
C 1.062144 1.572453 0.327550
C 2.332552 -3.946151 0.019957
C 2.019200 2.516425 -0.121812
C 3.445563 0.657576 -0.867908
C -5.353175 -0.620184 0.999186
C -3.288886 2.746907 -0.743373
C 3.210736 2.042882 -0.725314
C 1.750891 4.005917 0.017960
H -1.575583 -1.243632 1.357661
H -1.130629 0.476460 1.504696
H -1.407597 0.760019 -0.988464
H -1.844584 -0.962022 -1.141183
H 2.630251 -2.282910 1.401206
H -4.577016 -1.228831 -0.955871
H -3.574375 -1.714733 0.430255
H -3.695789 1.083117 -2.107405
H -4.946418 1.364616 -0.870818
H 0.138826 1.939100 0.787787
H 1.872898 -4.133918 -0.964484
H 3.413349 -4.154994 -0.043829
H 1.867754 -4.625006 0.752661
H 4.362245 0.275174 -1.326975
H -4.967964 -0.340746 1.995224
H -6.006836 0.198628 0.646423
H -5.978596 -1.526708 1.101849
H -3.500738 3.034687 0.301296
H -2.194354 2.790367 -0.895566
H -3.747897 3.493524 -1.418220
H 3.961315 2.757961 -1.079934
H 1.285101 4.247092 0.990435
H 2.683347 4.590642 -0.064396
H 1.063816 4.366906 -0.772180


