%chk=000102634.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000102634

0 1
 O  -0.4728000      -2.610900      -1.532000    
 N   -3.845100      0.5617000      8.9699998E-02
 N  -0.1008000     -0.4885000      -2.253400    
 C  -0.2235000     -0.8795000      0.2073000    
 C   0.3119000      -1.986000       1.218800    
 C   -1.739100     -0.6125000      0.5612000    
 C   0.6692000      0.3870000      0.3095000    
 C   -2.460700      0.3985000     -0.3470000    
 C  -0.2524000      -1.430100      -1.257800    
 C  -0.4507000      -3.320700       1.173500    
 C   0.3866000      -1.526400       2.685500    
 C    2.003400      0.3184000     -1.9400001E-02
 C   2.8899999E-02   1.520400      0.7385000    
 C    2.762700       1.507100      9.5700003E-02
 C   -4.511800       1.599900     -0.6965000    
 C   0.7756000       2.689300      0.8517000    
 C    2.632300     -0.8587000     -0.4568000    
 C    2.133800       2.684300      0.5328000    
 C   -4.569800     -0.7045000     -1.9300001E-02
 C    4.128700       1.483700     -0.2300000    
 C    3.990400     -0.8637000     -0.7762000    
 C   -5.934100       1.826300     -0.2128000    
 C    4.737200      0.3052000     -0.6630000    
 H    1.333900      -2.281900      0.9919000    
 H   -1.858100     -0.3198000       1.611200    
 H   -2.245300      -1.572100      0.4462000    
 H   -2.474600      9.3999999E-03  -1.373200    
 H   -2.000400       1.379400     -0.4379000    
 H  -6.5899998E-02  -3.985700       1.958400    
 H  -0.3045000      -3.880100      0.2499000    
 H   -1.519200      -3.219600       1.374200    
 H   0.8626000      -2.295800       3.304800    
 H   0.9837000     -0.6175000       2.800600    
 H  -0.6061000      -1.343700       3.107100    
 H  -0.9602000       1.583300       1.165400    
 H   -3.967900       2.545500     -0.5787000    
 H   -4.519600       1.360200      -1.767300    
 H   0.3117000       3.598300       1.224300    
 H    2.126200      -1.791300     -0.6642000    
 H   6.8999999E-03  0.5044000      -2.078200    
 H  -0.1262000     -0.7662000      -3.229000    
 H    2.699800       3.607700      0.6367000    
 H   -4.197100      -1.458600      0.6796000    
 H   -4.542200      -1.117500      -1.034500    
 H   -5.619200     -0.6105000      0.2760000    
 H    4.731500       2.385900     -0.1502000    
 H    4.461700      -1.775200      -1.132900    
 H   -6.621400       1.042600     -0.5456000    
 H   -5.985800       1.908900      0.8783000    
 H   -6.313800       2.767000     -0.6277000    
 H    5.793400      0.3017000     -0.9164000    


%chk=000102634-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000102634

0 1
O -0.038891 -2.967004 -1.619398
N -3.755844 0.509602 -0.038355
N 0.019569 -0.794239 -2.379564
C -0.252287 -1.147771 0.085749
C 0.325624 -2.169824 1.175779
C -1.808463 -1.042957 0.281217
C 0.467691 0.217592 0.253582
C -2.592191 -0.137941 -0.704802
C -0.058608 -1.724317 -1.358856
C -0.479258 -3.488149 1.323827
C 0.480112 -1.511238 2.570290
C 1.887049 0.371991 -0.044153
C -0.218347 1.318322 0.794844
C 2.534516 1.646652 0.226739
C -4.338628 1.583110 -0.888815
C 0.423338 2.566880 1.054529
C 2.708498 -0.674788 -0.594487
C 1.777654 2.731644 0.777378
C -4.770613 -0.480351 0.390070
C 3.932453 1.814677 -0.052151
C 4.067120 -0.482894 -0.853949
C -5.347513 2.475051 -0.141983
C 4.692692 0.772422 -0.580840
H 1.337327 -2.453541 0.828735
H -2.007521 -0.680717 1.307503
H -2.205267 -2.069476 0.221762
H -2.904142 -0.735924 -1.597674
H -1.947393 0.675791 -1.081135
H 0.112268 -4.199415 1.931053
H -0.673749 -3.950065 0.343904
H -1.436075 -3.328905 1.855062
H 0.818003 -2.272661 3.297381
H 1.214996 -0.688922 2.573109
H -0.482341 -1.107573 2.938409
H -1.280540 1.232983 1.043283
H -3.497592 2.213773 -1.236648
H -4.825075 1.158234 -1.806322
H -0.161941 3.389288 1.480089
H 2.272003 -1.647665 -0.832023
H 0.113980 0.202488 -2.189941
H 0.110626 -1.137776 -3.335820
H 2.282707 3.683960 0.978189
H -4.305979 -1.238611 1.041711
H -5.246597 -1.011260 -0.473817
H -5.564847 0.015541 0.972132
H 4.393370 2.786555 0.162123
H 4.658458 -1.303976 -1.273888
H -6.272781 1.933338 0.123083
H -4.895494 2.864707 0.787449
H -5.637639 3.332300 -0.776887
H 5.759361 0.910159 -0.788673


