%chk=000102633.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000102633

0 1
 O  -8.1600003E-02  0.6795000      -2.805600    
 N    2.628500       1.469400       1.206700    
 N  -4.6200000E-02  -1.108300      -1.403500    
 C  -0.8566000       1.069500     -0.4963000    
 C   -1.785600       2.252500      -1.017900    
 C   0.4355000       1.727100      0.1294000    
 C   -1.653800      0.1928000      0.5073000    
 C    1.494200      0.7381000      0.6477000    
 C  -0.3224000      0.2113000      -1.691600    
 C   -2.367900       3.143200      9.3699999E-02
 C   -1.133900       3.164800      -2.070400    
 C   -2.775600     -0.4860000      8.9800000E-02
 C   -1.154600      0.1642000       1.783600    
 C   -3.457500      -1.267700       1.052500    
 C    3.647700      0.5401000       1.694700    
 C   -1.824900     -0.6049000       2.730100    
 C   -3.263900     -0.4373000      -1.226100    
 C   -2.969200      -1.316700       2.368500    
 C    2.187100       2.354200       2.285000    
 C   -4.607500      -1.977900      0.6710000    
 C    4.126400     -0.3878000      0.6100000    
 C   -4.408100      -1.149000      -1.587500    
 C   -5.078700      -1.917800     -0.6408000    
 C    3.479900      -1.600100      0.4133000    
 C    5.207100     -1.7700000E-02 -0.1783000    
 C    3.923200      -2.459700     -0.5918000    
 C    5.650200     -0.8773000      -1.183500    
 C    5.008200      -2.098400      -1.390100    
 H   -2.668000       1.878100      -1.532400    
 H   0.1112000       2.419400      0.9094000    
 H   0.9417000       2.336500     -0.6288000    
 H    1.841800      0.2273000     -0.2533000    
 H    1.156200     -3.9999999E-02   1.329800    
 H   -3.091300       3.852800     -0.3250000    
 H   -2.902000       2.561200      0.8498000    
 H   -1.594200       3.733500      0.5933000    
 H  -0.1966000       3.614200      -1.736900    
 H  -0.9813000       2.678700      -3.034000    
 H   -1.804500       4.006000      -2.291000    
 H  -0.3827000      0.7943000       2.193000    
 H    4.511200       1.100200       2.078100    
 H    3.276900     -5.0500002E-02   2.544700    
 H   -1.479300     -0.6247000       3.759900    
 H   -2.769100      5.3399999E-02  -2.052700    
 H  -0.1534000      -1.518300     -0.4822000    
 H   0.3215000      -1.723500      -2.121900    
 H   -3.481600      -1.905000       3.126800    
 H    1.564300       1.841800       3.026400    
 H    3.055600       2.761100       2.818400    
 H    1.664800       3.238600       1.908500    
 H   -5.146700      -2.586200       1.394100    
 H   -4.765000      -1.120000      -2.613100    
 H   -5.966600      -2.475500     -0.9240000    
 H    2.644200      -1.905400       1.036500    
 H    5.713100      0.9317000     -2.7400000E-02
 H    3.425200      -3.411800     -0.7507000    
 H    6.494700     -0.5959000      -1.805700    
 H    5.353600      -2.768000      -2.172400    


%chk=000102633-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000102633

0 1
O -0.222269 -0.050969 -2.719361
N 2.578170 0.976771 1.533085
N -0.289019 -1.528207 -0.953623
C -0.839356 0.862735 -0.469604
C -1.504911 2.092519 -1.251575
C 0.511125 1.356980 0.170081
C -1.860055 0.326384 0.572378
C 1.418470 0.318569 0.874444
C -0.442352 -0.262261 -1.487425
C -2.249207 3.063258 -0.299913
C -0.525206 2.902445 -2.139838
C -3.088805 -0.346835 0.165199
C -1.667283 0.566655 1.941916
C -4.049519 -0.746359 1.182342
C 3.724039 0.052473 1.723531
C -2.611801 0.171473 2.935926
C -3.424794 -0.641620 -1.203402
C -3.785683 -0.477631 2.564801
C 2.221478 1.664179 2.790638
C -5.266760 -1.404081 0.800665
C 4.379646 -0.381481 0.415133
C -4.619165 -1.279451 -1.545131
C -5.555027 -1.667148 -0.537645
C 4.911947 -1.687318 0.278045
C 4.512977 0.528686 -0.663802
C 5.575379 -2.076104 -0.908894
C 5.168660 0.141361 -1.852941
C 5.705911 -1.161772 -1.979223
H -2.259082 1.651582 -1.930568
H 0.278278 2.190107 0.859816
H 1.118992 1.794373 -0.638697
H 1.817979 -0.374281 0.115144
H 0.846524 -0.302094 1.609474
H -2.649294 3.911274 -0.885826
H -3.092945 2.582272 0.222279
H -1.570361 3.485190 0.465947
H 0.142109 3.545758 -1.536630
H 0.078666 2.238922 -2.777337
H -1.111535 3.570950 -2.798525
H -0.772068 1.095003 2.277914
H 4.473702 0.593027 2.336678
H 3.439484 -0.859119 2.310614
H -2.404686 0.389026 3.989426
H -2.735382 -0.376625 -2.008172
H -0.535949 -1.735661 0.013063
H 0.003570 -2.282119 -1.575404
H -4.522598 -0.784979 3.316255
H 1.844574 0.966938 3.582811
H 3.106885 2.189282 3.191436
H 1.441444 2.423176 2.607261
H -5.971410 -1.695101 1.589101
H -4.838406 -1.486786 -2.598267
H -6.487945 -2.167488 -0.819123
H 4.806817 -2.403671 1.103253
H 4.084495 1.531311 -0.555709
H 5.982532 -3.089735 -1.000393
H 5.258704 0.852622 -2.681985
H 6.214014 -1.462304 -2.902546


