%chk=000043849.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000043849

0 1
 O    3.196500      0.8280000     -3.2499999E-02
 O   -4.269700      -1.927900     -0.4351000    
 N   -2.272500       1.083900     -0.3212000    
 N   -4.970000      0.2631000     -0.4594000    
 N   -6.303100     -0.1127000     -0.5518000    
 C  -0.3578000     -5.6100000E-02 -0.2156000    
 C   -1.443500     -0.9744000     -0.2688000    
 C  -0.9053000       1.228200     -0.2498000    
 C   -2.607400     -0.2434000     -0.3331000    
 C    1.042500     -0.1946000     -0.1414000    
 C  -0.1193000       2.385600     -0.2135000    
 C    1.841200      0.9542000     -0.1041000    
 C   -1.336400      -2.449100     -0.2572000    
 C   -3.956000     -0.7132000     -0.4020000    
 C    1.267100       2.223400     -0.1398000    
 C   -7.054800      0.4251000      0.5741000    
 C    3.722500     -0.4969000      8.9999998E-04
 C   -6.533900     -0.1579000       1.884700    
 C   -8.537200      0.1171000      0.3883000    
 C    5.217300     -0.4279000      0.1112000    
 C    5.991800     -0.3908000      -1.043100    
 C    5.814600     -0.4012000       1.366400    
 C    7.381300     -0.3264000     -0.9408000    
 C    7.204300     -0.3366000       1.468700    
 C    7.987600     -0.2993000      0.3150000    
 H   -2.920800       1.857600     -0.3581000    
 H    1.433900      -1.203500     -0.1194000    
 H  -0.5654000       3.374000     -0.2412000    
 H   -1.760200      -2.874000      -1.173100    
 H  -0.2985000      -2.788200     -0.1901000    
 H   -1.872300      -2.868500      0.6009000    
 H    1.901300       3.106400     -0.1103000    
 H   -6.945800       1.517200      0.6076000    
 H   -4.775400       1.258900     -0.4614000    
 H   -6.659100      0.2781000      -1.423700    
 H    3.464100      -1.042500     -0.9165000    
 H    3.340300      -1.049300      0.8698000    
 H   -5.505400      0.1536000       2.095900    
 H   -7.148700      0.1833000       2.725300    
 H   -6.564400      -1.253600       1.878000    
 H   -8.722000     -0.9626000      0.3514000    
 H   -9.124800      0.5295000       1.215700    
 H   -8.918400      0.5577000     -0.5397000    
 H    5.530300     -0.4089000      -2.026600    
 H    5.214600     -0.4271000       2.271900    
 H    7.991200     -0.2965000      -1.839000    
 H    7.676500     -0.3147000       2.446500    
 H    9.069600     -0.2486000      0.3947000    


%chk=000043849-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000043849

0 1
O 3.256379 0.742700 -0.177127
O -4.531902 -1.611123 -1.037448
N -2.280327 1.266595 -0.722398
N -4.995297 0.587280 -0.298570
N -6.395787 0.429424 -0.325307
C -0.419001 -0.022471 -0.409971
C -1.571343 -0.901846 -0.418179
C -0.885955 1.318560 -0.623369
C -2.697681 -0.085493 -0.618347
C 0.972906 -0.271154 -0.244340
C 0.005046 2.413752 -0.701759
C 1.854997 0.825351 -0.315099
C -1.548715 -2.392724 -0.213725
C -4.130468 -0.468371 -0.678683
C 1.375163 2.154519 -0.545118
C -7.069175 0.311795 0.998056
C 3.824487 -0.604613 0.065447
C -6.647246 -0.994404 1.697273
C -8.589158 0.365567 0.747551
C 5.321071 -0.460440 0.213323
C 6.189331 -0.820864 -0.845927
C 5.875088 0.043624 1.417316
C 7.589283 -0.682239 -0.707105
C 7.272456 0.187564 1.558472
C 8.133396 -0.177504 0.496138
H -2.867550 2.014859 -1.086578
H 1.327950 -1.291819 -0.077319
H -0.348359 3.436229 -0.873043
H -0.942231 -2.886805 -0.997235
H -1.097599 -2.657033 0.762491
H -2.565379 -2.811363 -0.265570
H 2.113304 2.960725 -0.593252
H -6.789285 1.172996 1.659813
H -4.592268 1.338336 0.284284
H -6.837047 1.108931 -0.958724
H 3.568981 -1.267432 -0.786337
H 3.367252 -1.020630 0.987552
H -5.556175 -1.025396 1.865178
H -7.148740 -1.084163 2.678380
H -6.913028 -1.859099 1.065919
H -8.892901 -0.471310 0.094014
H -9.137418 0.283033 1.701877
H -8.892507 1.315116 0.264899
H 5.768161 -1.205472 -1.782795
H 5.207382 0.330685 2.238349
H 8.251449 -0.965287 -1.532845
H 7.690458 0.579748 2.492312
H 9.218402 -0.069833 0.606229


