%chk=000102653.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000102653

0 1
 O  -0.1294000       2.781100       1.465800    
 N   -3.726100     -0.2875000      0.1560000    
 N   0.1705000      0.6794000       2.275900    
 C  -4.7200002E-02  0.9575000     -0.1935000    
 C   0.4946000       1.985000      -1.282000    
 C   -1.588900      0.7525000     -0.4664000    
 C   0.7762000     -0.3569000     -0.2711000    
 C   -2.316500     -0.1751000      0.5225000    
 C   1.9500000E-02   1.578600       1.241900    
 C   0.4781000       1.452200      -2.725500    
 C  -0.1982000       3.357900      -1.270400    
 C    2.126100     -0.3414000     -4.4999998E-03
 C   6.1400000E-02  -1.475200     -0.6139000    
 C    2.819400      -1.572100     -9.2200004E-02
 C   -3.862000     -0.7837000      -1.213600    
 C   -4.429900      -1.167400       1.089200    
 C   0.7433000      -2.685400     -0.6997000    
 C    2.832100      0.8213000      0.3445000    
 C    2.113500      -2.735000     -0.4408000    
 C    4.198500      -1.603700      0.1717000    
 C   -5.321100     -0.8467000      -1.632300    
 C   -4.300300     -0.6683000       2.518300    
 C    4.202100      0.7714000      0.6032000    
 C    4.884100     -0.4387000      0.5168000    
 H    1.539700       2.237700      -1.116000    
 H   -1.675400      0.4135000      -1.498500    
 H   -2.106600       1.717000     -0.4105000    
 H   -2.270800      0.3429000       1.484900    
 H   -1.884600      -1.158700      0.7033000    
 H   0.9822000       2.156600      -3.397900    
 H    1.005600      0.4989000      -2.818700    
 H  -0.5402000       1.323800      -3.104100    
 H   0.1642000       3.957600      -2.116000    
 H   3.7500001E-02   3.957500     -0.3911000    
 H   -1.281500       3.300500      -1.392200    
 H  -0.9520000      -1.512700     -0.9788000    
 H   -3.393200      -1.766100      -1.347500    
 H   -3.426000     -9.8200001E-02  -1.942500    
 H   -4.072300      -2.203000       1.026900    
 H   -5.503700      -1.175400      0.8758000    
 H   0.2175000      -3.586900      -1.001600    
 H   0.2042000       1.004500       3.236600    
 H   0.2199000     -0.3251000       2.146500    
 H    2.383000       1.787800      0.5262000    
 H    2.627500      -3.690600     -0.5215000    
 H    4.751500      -2.538700      0.1116000    
 H   -5.852600      -1.685000      -1.171700    
 H   -5.851800      8.2900003E-02  -1.399200    
 H   -5.387100     -0.9962000      -2.716200    
 H   -5.011900      -1.202900       3.157900    
 H   -4.530600      0.3997000       2.599300    
 H   -3.306700     -0.8529000       2.939100    
 H    4.734100       1.673500      0.8919000    
 H    5.949800     -0.4776000      0.7231000    


%chk=000102653-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000102653

0 1
O 0.115177 2.563122 1.768993
N -3.744993 -0.488322 0.235175
N 0.231482 0.330365 2.319296
C -0.045403 0.898588 -0.099768
C 0.409949 2.070867 -1.091208
C -1.589108 0.659267 -0.298748
C 0.826733 -0.355120 -0.388883
C -2.321174 -0.332453 0.639935
C 0.123375 1.351088 1.391648
C 0.581781 1.571385 -2.548797
C -0.510229 3.319648 -1.089144
C 2.254616 -0.379488 -0.088588
C 0.275327 -1.469277 -1.040334
C 3.039456 -1.545351 -0.465780
C -3.922363 -1.454043 -0.882058
C -4.644235 -0.765000 1.387938
C 1.048881 -2.611029 -1.407419
C 2.954995 0.695761 0.564736
C 2.410967 -2.651788 -1.124501
C 4.446252 -1.585949 -0.183599
C -5.210980 -1.214247 -1.692488
C -4.930039 0.488972 2.236399
C 4.325494 0.629082 0.824197
C 5.085861 -0.520535 0.448033
H 1.402864 2.406742 -0.737137
H -1.765847 0.371519 -1.352840
H -2.095000 1.628996 -0.164998
H -2.299396 0.071322 1.665772
H -1.803009 -1.322300 0.682550
H 0.844482 2.427295 -3.197591
H 1.376217 0.812827 -2.648330
H -0.356840 1.136739 -2.942727
H 0.001111 4.138323 -1.630368
H -0.717199 3.663330 -0.064221
H -1.464140 3.129295 -1.614550
H -0.784268 -1.470471 -1.305440
H -3.894866 -2.513434 -0.516276
H -3.060845 -1.340731 -1.567387
H -4.234525 -1.579272 2.039538
H -5.602674 -1.141157 0.986531
H 0.560354 -3.448711 -1.917016
H 0.331599 0.581500 3.302947
H 0.321394 -0.644015 2.033908
H 2.416025 1.590972 0.882995
H 3.019415 -3.520187 -1.403504
H 5.011395 -2.478181 -0.479248
H -6.118889 -1.343404 -1.076101
H -5.217870 -0.186239 -2.094453
H -5.276530 -1.927394 -2.535629
H -5.610876 0.244165 3.073397
H -5.399797 1.268995 1.612617
H -4.006545 0.914394 2.669235
H 4.821652 1.467885 1.324616
H 6.160284 -0.560144 0.657678


