%chk=000121299.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000121299

0 1
 O    1.473000      -4.215100     -0.5418000    
 O   0.2424000       1.624100      0.8858000    
 O   -1.765300       3.178000     -0.2155000    
 O    2.736600       1.389200       1.582300    
 N   0.5358000      -1.808100      0.6539000    
 N    3.601500       1.125900     -0.5562000    
 C  -0.3605000      -2.685400     -0.1119000    
 C    1.615700      -2.598400       1.261300    
 C  -0.2062000      -1.072200       1.675400    
 C   0.4377000      -3.452000      -1.162600    
 C    2.367600      -3.365900      0.1777000    
 C   -1.282200     -0.2078000       1.073600    
 C   -1.004700       1.102300      0.7064000    
 C   -2.550600     -0.7448000      0.8956000    
 C   -3.559200      4.2599998E-02  0.3406000    
 C   -2.013400       1.889600      0.1513000    
 C   -3.290700       1.359900     -3.1500001E-02
 C   -4.924800     -0.5235000      0.1429000    
 C    1.166400       1.475900     -0.1897000    
 C    2.569500       1.329700      0.3602000    
 C    4.968200      0.9708000     -7.3500000E-02
 C    3.441500       1.034800      -2.005400    
 C   -5.102600      -1.179000      -1.202100    
 C    5.297000     -0.4815000      0.2044000    
 C    3.560400       2.394000      -2.663300    
 C   -1.978500       4.185300      0.7714000    
 C   -5.974600     -0.7682000      -2.129600    
 H  -0.8680000      -3.397600      0.5515000    
 H   -1.110700      -2.123200     -0.6739000    
 H    2.319300      -1.941300       1.784900    
 H    1.204200      -3.307500       1.991300    
 H  -0.6589000      -1.758400       2.405800    
 H   0.4768000     -0.4458000       2.263200    
 H   0.8775000      -2.778100      -1.908200    
 H  -0.2172000      -4.150600      -1.693300    
 H    3.134800      -3.999800      0.6338000    
 H    2.870700      -2.687600     -0.5223000    
 H   -2.767900      -1.766400       1.197200    
 H   -4.072600       1.977900     -0.4665000    
 H   -5.135100      -1.268200      0.9217000    
 H   -5.674600      0.2646000      0.2934000    
 H   0.9184000      0.5974000     -0.7937000    
 H    1.114400       2.374100     -0.8118000    
 H    5.665200       1.392700     -0.8060000    
 H    5.088800       1.545000      0.8521000    
 H    4.193500      0.3484000      -2.410300    
 H    2.465900      0.6048000      -2.245700    
 H   -4.488700      -2.050400      -1.417700    
 H    4.625300     -0.9007000      0.9607000    
 H    6.323400     -0.5760000      0.5719000    
 H    5.201700      -1.092400     -0.6990000    
 H    4.544700       2.837400      -2.480300    
 H    3.425700       2.305100      -3.745800    
 H    2.808900       3.092800      -2.283900    
 H   -1.730900       5.154700      0.3304000    
 H   -3.027600       4.200200       1.083700    
 H   -1.330600       4.019300       1.637900    
 H   -6.057100      -1.291100      -3.076000    
 H   -6.615500      9.0599999E-02  -1.963800    


%chk=000121299-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000121299

0 1
O 1.324145 -5.031661 0.332056
O 0.491250 1.139449 0.232192
O -1.348694 2.637271 -1.294351
O 3.109388 0.020500 1.218551
N 0.343756 -2.350334 0.892725
N 3.745430 1.371589 -0.565331
C -0.575572 -3.430845 0.453331
C 1.500799 -2.921370 1.642432
C -0.341136 -1.284642 1.688965
C 0.188392 -4.453511 -0.402975
C 2.228829 -3.950697 0.766385
C -1.307812 -0.447689 0.864357
C -0.855107 0.701639 0.160265
C -2.686165 -0.771804 0.805708
C -3.612185 -0.004095 0.058844
C -1.778945 1.499035 -0.571419
C -3.140771 1.140434 -0.627887
C -5.096286 -0.376232 0.030614
C 1.464542 0.306892 -0.541724
C 2.835149 0.559957 0.092993
C 5.049195 1.635488 0.097053
C 3.511098 2.023052 -1.880307
C -5.712045 -0.330537 -1.356417
C 6.158457 0.672202 -0.375367
C 2.641894 3.294721 -1.787345
C -0.966285 3.782910 -0.439530
C -6.809097 0.391275 -1.697049
H -1.030340 -3.954108 1.333173
H -1.394809 -2.992187 -0.144991
H 2.190791 -2.095215 1.894970
H 1.162719 -3.416069 2.586714
H -0.891849 -1.732412 2.552666
H 0.454116 -0.630879 2.091425
H 0.554629 -3.959041 -1.329714
H -0.456324 -5.307400 -0.670501
H 3.035983 -4.449709 1.327473
H 2.656047 -3.442755 -0.125935
H -3.043300 -1.643622 1.369367
H -3.822380 1.762453 -1.218188
H -5.211608 -1.397251 0.447831
H -5.667546 0.300800 0.697033
H 1.212359 -0.764311 -0.401284
H 1.385481 0.588213 -1.606346
H 5.329969 2.685827 -0.108759
H 4.895053 1.521100 1.182710
H 4.505067 2.276277 -2.292259
H 3.060672 1.302766 -2.586810
H -5.208228 -0.941618 -2.120907
H 5.892540 -0.367630 -0.120058
H 7.114916 0.917118 0.121919
H 6.315801 0.735866 -1.468083
H 3.087424 4.023650 -1.086376
H 2.559082 3.773721 -2.780592
H 1.627124 3.049983 -1.433954
H -0.627689 4.569386 -1.131920
H -1.843342 4.141019 0.134362
H -0.151634 3.500104 0.251031
H -7.215989 0.373254 -2.714235
H -7.333160 1.019773 -0.965536


