%chk=000039366.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000039366

1 1
 O   0.7446000       1.275300       2.106400    
 O   -3.796800      -2.791300      0.1196000    
 N    2.240300     -0.9883000      0.8979000    
 N   -2.987300       2.599700     -0.8002000    
 C    1.129000     -0.1523000      0.2038000    
 C    3.326100      0.8505000     -0.5653000    
 C    3.110900      -1.639600     -0.2068000    
 C    1.797000      0.9736000     -0.6071000    
 C    3.709100     -0.5421000      -1.101500    
 C    3.152600     -0.1062000       1.762200    
 C    3.757400      0.9994000      0.9002000    
 C   9.7800002E-02  0.4000000       1.186600    
 C    1.654400      -2.106700       1.754100    
 C    5.193000     -0.7085000      -1.251800    
 C   -1.010700       1.143500      0.4827000    
 C    5.805200     -0.9462000      -2.416800    
 C   -2.185000      0.5058000      8.2699999E-02
 C  -0.8159000       2.491400      0.2499000    
 C   -3.164700       1.285500     -0.5670000    
 C   -2.403700     -0.8634000      0.3102000    
 C   -1.830800       3.171100     -0.3928000    
 C   -4.340500      0.6577000     -0.9695000    
 C   -3.588800      -1.465500     -0.1028000    
 C   -4.558100     -0.7037000     -0.7435000    
 C   -5.034900      -3.339600     -0.3312000    
 H   0.6343000     -0.8461000     -0.4894000    
 H    3.779000       1.642800      -1.173200    
 H    2.456400      -2.305700     -0.7822000    
 H    3.872000      -2.249700      0.2949000    
 H    1.573800       1.976800     -0.2502000    
 H    1.443800      0.9319000      -1.645200    
 H    3.254000     -0.6512000      -2.096700    
 H    3.952000     -0.7610000       2.132800    
 H    2.622200      0.2520000       2.645300    
 H    3.433300       1.974600       1.285100    
 H    4.848700      0.9960000      0.9979000    
 H  -0.3233000     -0.3857000       1.815000    
 H    1.186400      -1.672500       2.640800    
 H   0.9265000      -2.657900       1.152200    
 H    2.470000      -2.766700       2.065100    
 H    5.808300     -0.6521000     -0.3575000    
 H   7.6499999E-02   1.595800       2.736700    
 H    6.882300      -1.066600      -2.456200    
 H    5.250900      -1.024400      -3.345400    
 H   5.0700001E-02   3.051000      0.5783000    
 H   -1.668200      -1.501900      0.7893000    
 H   -1.747200       4.233800     -0.5961000    
 H   -5.114800       1.233500      -1.473200    
 H   -5.504800      -1.100500      -1.093800    
 H   -5.130100      -3.275700      -1.420400    
 H   -5.887300      -2.887200      0.1869000    
 H   -5.030800      -4.403500     -7.2099999E-02


%chk=000039366-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000039366

1 1
O 0.741748 1.475153 2.518056
O -3.237719 -2.901636 -0.417327
N 2.261140 -0.776993 1.256355
N -3.079816 2.711261 -0.709020
C 1.132302 0.073301 0.572361
C 3.282742 0.748600 -0.594695
C 2.919110 -1.624778 0.139842
C 1.825436 1.172877 -0.279185
C 3.268193 -0.733566 -1.090904
C 3.352308 0.148833 1.853971
C 4.112440 0.866994 0.708537
C 0.056072 0.607545 1.554184
C 1.727300 -1.692996 2.339158
C 4.570258 -1.191167 -1.720261
C -1.043972 1.323810 0.768522
C 4.683316 -1.668117 -2.983142
C -2.086953 0.567471 0.111910
C -1.060351 2.718879 0.670914
C -3.086043 1.326645 -0.624222
C -2.194486 -0.854162 0.145694
C -2.096622 3.371228 -0.071069
C -4.136616 0.625873 -1.295257
C -3.239924 -1.512281 -0.523637
C -4.222058 -0.764692 -1.255404
C -4.324801 -3.660343 -1.060648
H 0.620377 -0.655121 -0.084731
H 3.708349 1.396256 -1.378274
H 2.219575 -2.437327 -0.119658
H 3.824519 -2.070205 0.588169
H 1.822653 2.130098 0.270165
H 1.244758 1.318649 -1.205278
H 2.468136 -0.830586 -1.849573
H 4.010206 -0.501334 2.455729
H 2.816504 0.847134 2.513167
H 4.242012 1.929367 0.975491
H 5.122155 0.443109 0.574488
H -0.404369 -0.243599 2.097395
H 1.416895 -1.089228 3.204322
H 0.876916 -2.274276 1.949032
H 2.531044 -2.382488 2.641759
H 5.471640 -1.118217 -1.092021
H 0.072947 1.940051 3.082560
H 5.650960 -1.974639 -3.393550
H 3.816189 -1.762353 -3.649061
H -0.284780 3.323959 1.151729
H -1.494007 -1.481338 0.707253
H -2.113967 4.463943 -0.146728
H -4.871356 1.227509 -1.838060
H -5.037842 -1.273708 -1.775555
H -4.316323 -3.516613 -2.156910
H -5.308800 -3.375041 -0.645590
H -4.112595 -4.711841 -0.822300


