%chk=000050382.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000050382

0 1
 O  -5.0000002E-04  0.4553000      0.8267000    
 O   -3.997400       2.594000      -1.020700    
 O    3.997700       2.593800      -1.021200    
 O   -5.930400       1.761400      0.7951000    
 O    5.930600       1.761400      0.7946000    
 N    0.000000      -3.485600      0.4738000    
 N   6.0000003E-04  -2.649200      -1.842200    
 C   -1.291300      -1.405000     -8.6300001E-02
 C    1.291100      -1.404700     -8.5699998E-02
 C   -1.210300      -2.693300      0.7820000    
 C   -1.203400      -1.836400      -1.576700    
 C    1.210000      -2.693100      0.7826000    
 C    1.204200      -1.836100      -1.576000    
 C  -1.9999999E-04 -0.6335000      0.2562000    
 C   3.9999999E-04  -3.831100     -0.9606000    
 C   -2.540200     -0.5497000      0.1482000    
 C    2.539600     -0.5488000      0.1495000    
 C   -2.708300      0.6483000     -0.5479000    
 C    2.708600      0.6483000     -0.5482000    
 C   -3.512000     -0.9665000       1.059400    
 C    3.511100     -0.9652000       1.061200    
 C   -3.845200       1.427500     -0.3336000    
 C    3.845900       1.427000     -0.3345000    
 C   -4.648900     -0.1874000       1.273700    
 C    4.648400     -0.1865000       1.274800    
 C   -4.815500       1.009600      0.5772000    
 C    4.815800       1.009600      0.5770000    
 C   -3.467800       3.774000     -0.4195000    
 C    3.466700       3.773200     -0.4203000    
 C   -7.063300       1.494800     -2.9400000E-02
 C    7.063800       1.494200     -2.9300001E-02
 H   -1.204400      -2.450100       1.853300    
 H   -2.085100      -3.335400      0.6134000    
 H   -2.095900      -2.411900      -1.858500    
 H   -1.189100     -0.9691000      -2.249100    
 H    2.085100      -3.334900      0.6146000    
 H    1.203600      -2.449800       1.853800    
 H    1.190000     -0.9689000      -2.248500    
 H    2.096900      -2.411400      -1.857300    
 H   0.8699000      -4.461900      -1.188600    
 H  -0.8688000      -4.462100      -1.189000    
 H   -1.958400      0.9904000      -1.256700    
 H    1.958900      0.9900000      -1.257300    
 H   -3.430700      -1.886000       1.627900    
 H    3.429200      -1.884100       1.630700    
 H   -5.400600     -0.5179000       1.985500    
 H    5.399800     -0.5165000       1.987200    
 H   -3.948700       3.964100      0.5452000    
 H   -3.671200       4.618000      -1.084100    
 H   -2.384700       3.684400     -0.2885000    
 H    3.946400       3.963300      0.5450000    
 H    2.383500       3.683000     -0.2907000    
 H    3.670500       4.617600      -1.084300    
 H   -6.821700       1.665100      -1.083300    
 H   -7.866000       2.178300      0.2602000    
 H   -7.409400      0.4665000      0.1156000    
 H    6.822700       1.663900      -1.083300    
 H    7.409800      0.4659000      0.1166000    
 H    7.866600       2.177800      0.2602000    


%chk=000050382-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000050382

0 1
O -0.000015 0.553629 0.735277
O -4.019288 2.578468 -1.027490
O 4.019246 2.578603 -1.026896
O -6.186700 1.602113 0.685834
O 6.186644 1.602065 0.686371
N -0.000043 -3.538606 0.599104
N 0.000054 -2.747778 -1.735683
C -1.291501 -1.434860 0.025620
C 1.291489 -1.434880 0.025722
C -1.217457 -2.753879 0.903170
C -1.215181 -1.938613 -1.490543
C 1.217357 -2.753897 0.903268
C 1.215281 -1.938630 -1.490448
C -0.000010 -0.632987 0.307113
C 0.000012 -3.936428 -0.836716
C -2.568795 -0.628617 0.239428
C 2.568772 -0.628650 0.239633
C -2.742263 0.600666 -0.448505
C 2.742247 0.600701 -0.448178
C -3.617836 -1.069205 1.086773
C 3.617787 -1.069298 1.086977
C -3.919275 1.358635 -0.313175
C 3.919239 1.358675 -0.312729
C -4.812087 -0.325738 1.211663
C 4.812027 -0.325830 1.211974
C -4.985221 0.880079 0.503561
C 4.985173 0.880055 0.503990
C -4.054402 3.780055 -0.159860
C 4.054073 3.780088 -0.159111
C -6.973454 1.830370 -0.548962
C 6.973440 1.830500 -0.548367
H -1.231488 -2.500101 1.978472
H -2.100763 -3.382672 0.682973
H -2.112231 -2.553078 -1.694766
H -1.231651 -1.073652 -2.176300
H 2.100674 -3.382700 0.683143
H 1.231302 -2.500118 1.978570
H 1.231815 -1.073668 -2.176203
H 2.112340 -2.553105 -1.694602
H 0.901211 -4.539367 -1.041422
H -0.901177 -4.539357 -1.041493
H -1.946445 1.018470 -1.072600
H 1.946439 1.018558 -1.072252
H -3.523562 -1.996271 1.659371
H 3.523503 -1.996416 1.659490
H -5.630176 -0.669382 1.852896
H 5.630099 -0.669530 1.853198
H -4.913046 3.739969 0.535393
H -4.152596 4.635304 -0.845855
H -3.111352 3.860224 0.412768
H 4.912667 3.740070 0.536208
H 3.110964 3.860018 0.413454
H 4.152168 4.635443 -0.844988
H -6.370771 2.354934 -1.311607
H -7.830551 2.447136 -0.238388
H -7.331590 0.864250 -0.953109
H 6.370772 2.355134 -1.310974
H 7.331627 0.864441 -0.952613
H 7.830503 2.447255 -0.237679


