%chk=000044676.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000044676

0 1
 O  -0.9026000      9.7300000E-02   2.516300    
 N    3.516500       1.180000     -0.9774000    
 C  -0.1131000      7.7600002E-02  0.1554000    
 C    1.055800      0.7045000     -0.7785000    
 C   1.8100001E-02  0.7262000       1.613300    
 C   -1.548300      0.4697000     -0.3478000    
 C   9.8800004E-02  -1.474000      0.1680000    
 C    2.495000      0.4144000     -0.2612000    
 C   0.9602000      0.3129000      -2.270500    
 C  -0.1604000       2.255500       1.722300    
 C   -2.551200     -0.4117000     -0.1042000    
 C  -2.3200000E-02  -2.128900      -1.016800    
 C   -1.675900       1.660000     -0.9871000    
 C   0.3901000      -2.053300       1.362500    
 C  -8.6199999E-02   2.732700       3.170000    
 C    4.849000      0.8419000     -0.4800000    
 C    3.267700       2.614200     -0.8415000    
 C   -3.825900     -6.3400000E-02 -0.5508000    
 C   0.1658000      -3.510900      -1.005800    
 C   -2.950700       2.008200      -1.433500    
 C   0.5792000      -3.435300       1.373400    
 C   -4.025700       1.146400      -1.215300    
 C   0.4671000      -4.164000      0.1892000    
 H   0.9206000       1.783700     -0.7369000    
 H    1.004000      0.5047000       2.030900    
 H    2.580000      0.6333000      0.8064000    
 H    2.705500     -0.6555000     -0.3816000    
 H    1.483900       1.066300      -2.872800    
 H    1.464900     -0.6315000      -2.495200    
 H  -5.9700001E-02  0.2959000      -2.660300    
 H   -1.144000       2.567300       1.362400    
 H   0.6012000       2.781300       1.140300    
 H   -2.438700      -1.343300      0.4363000    
 H  -0.3585000      -1.687000      -1.942900    
 H  -0.8878000       2.376500      -1.165000    
 H   0.5580000      -1.562700       2.307800    
 H   -1.787900      0.4616000       2.348900    
 H  -0.9046000       2.327800       3.773200    
 H   0.8626000       2.439600       3.630400    
 H  -0.1563000       3.824700       3.207700    
 H    5.047000     -0.2288000     -0.6032000    
 H    4.974000       1.096500      0.5789000    
 H    5.619800       1.368200      -1.054100    
 H    4.124800       3.185400      -1.219700    
 H    3.106500       2.917500      0.1994000    
 H    2.424700       2.948800      -1.453000    
 H   -4.664700     -0.7306000     -0.3742000    
 H   5.5100001E-02  -4.082100      -1.922900    
 H   -3.108400       2.952800      -1.946200    
 H   0.8269000      -3.943900       2.300700    
 H   -5.018900       1.418900      -1.560200    
 H   0.6120000      -5.240300      0.1982000    


%chk=000044676-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000044676

0 1
O -1.126200 0.114037 2.469729
N 3.527485 1.247108 -0.846987
C -0.130230 0.130969 0.134547
C 1.034584 0.788947 -0.735912
C -0.107997 0.745398 1.610580
C -1.535625 0.462499 -0.438896
C 0.092755 -1.407221 0.186640
C 2.441183 0.547796 -0.116234
C 1.058949 0.351876 -2.219098
C -0.226739 2.284801 1.705269
C -2.646999 -0.364202 -0.104346
C -0.266481 -2.210680 -0.931274
C -1.803962 1.643138 -1.182702
C 0.703862 -2.062180 1.287763
C -0.045954 2.779303 3.157115
C 4.854432 0.682071 -0.527746
C 3.500156 2.711736 -0.667822
C -3.961797 -0.029223 -0.499929
C -0.011571 -3.598185 -0.958894
C -3.115611 1.977768 -1.586461
C 0.960527 -3.451986 1.267129
C -4.205690 1.146054 -1.244351
C 0.610461 -4.230033 0.141692
H 0.850679 1.880399 -0.722798
H 0.836435 0.452600 2.098322
H 2.451860 0.845231 0.963698
H 2.654927 -0.536447 -0.152378
H 1.831254 0.935380 -2.748649
H 1.334504 -0.712417 -2.317504
H 0.086606 0.505595 -2.718638
H -1.213880 2.603112 1.317576
H 0.537599 2.765743 1.065549
H -2.474820 -1.300382 0.437051
H -0.768647 -1.747942 -1.787032
H -0.987370 2.315928 -1.462637
H 0.955720 -1.504689 2.193213
H -2.017330 0.275920 2.059231
H -0.757982 2.271764 3.830236
H 0.975411 2.564581 3.525616
H -0.209028 3.870168 3.228258
H 4.864389 -0.397201 -0.760917
H 5.145910 0.806537 0.547079
H 5.626691 1.173702 -1.146740
H 4.331150 3.167930 -1.234746
H 3.598511 3.025414 0.404555
H 2.558753 3.134007 -1.060926
H -4.792384 -0.690435 -0.227202
H -0.302414 -4.183430 -1.838872
H -3.284563 2.891759 -2.167411
H 1.425790 -3.926380 2.138884
H -5.223137 1.406698 -1.556131
H 0.807928 -5.307835 0.126798


