%chk=000096777.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000096777

0 1
 O   0.8569000       1.452100      0.9998000    
 O    3.836600       2.741800     -0.5424000    
 O    1.950700       4.279000      0.6682000    
 O   -1.702700       1.345500     -0.1403000    
 O   -2.664400      0.8681000      -2.176800    
 N    2.683500     -3.0000000E-03  0.5797000    
 N    3.974200      -1.820500      0.6741000    
 N   0.6936000     -0.9602000     -0.4337000    
 N   0.9783000      -3.344400     -0.8698000    
 N    2.994900      -4.516600     -0.3346000    
 N   -5.968700     -0.6010000      2.7100001E-02
 C    2.512600       2.250700     -0.4934000    
 C    1.480300       3.344500     -0.3031000    
 C    2.272000       1.390000      0.7375000    
 C   0.2990000       2.578100      0.2836000    
 C  -0.6513000       2.047000     -0.7805000    
 C    1.943500      -1.023000      4.9800001E-02
 C    3.895500     -0.5332000      0.9392000    
 C    2.760900      -2.139900      0.1180000    
 C    2.236000      -3.334000     -0.3660000    
 C   -2.649300      0.8011000     -0.9574000    
 C   0.2954000      -2.174200     -0.8723000    
 C   -3.691300      9.7800002E-02 -0.1675000    
 C   -3.365100     -0.4773000       1.037000    
 C   -4.973700      2.4100000E-02 -0.6416000    
 C   -4.361800      -1.129400       1.754500    
 C   -5.635800      -1.162800       1.211000    
 H    2.311500       1.692800      -1.415200    
 H    1.259000       3.897500      -1.220400    
 H    2.796200       1.772700       1.622200    
 H  -0.2585000       3.170600       1.017900    
 H  -0.1335000       1.368900      -1.467200    
 H   -1.068600       2.883200      -1.353800    
 H    3.987800       3.279100      0.2538000    
 H    1.248000       4.938100      0.8002000    
 H    4.677800      6.5099999E-02   1.386100    
 H  -0.7083000      -2.218900      -1.281400    
 H    3.933800      -4.511300      4.0500000E-02
 H    2.591600      -5.371700     -0.6926000    
 H   -2.358100     -0.4523000       1.442200    
 H   -5.271700      0.4673000      -1.585800    
 H   -4.147500      -1.599500       2.707500    
 H   -6.448300      -1.660000       1.730600    


%chk=000096777-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000096777

0 1
O 0.756044 1.289593 1.010026
O 3.669952 2.864160 -0.561739
O 1.504739 4.171267 0.131621
O -1.841118 0.579475 -0.401643
O -3.054925 2.558651 -0.654324
N 2.732495 -0.057153 0.742803
N 3.795683 -1.942936 1.520577
N 1.864511 -0.965493 -1.421565
N 2.501944 -3.319011 -1.749766
N 3.776468 -4.533059 -0.172945
N -6.423348 0.651647 1.155388
C 2.444674 2.096384 -0.568417
C 1.174108 2.980338 -0.669303
C 2.210508 1.307321 0.762038
C 0.068076 2.125155 -0.015064
C -0.673987 1.246402 -1.035556
C 2.538324 -1.046468 -0.233842
C 3.484455 -0.661589 1.768575
C 3.205514 -2.196599 0.267004
C 3.170062 -3.366335 -0.547023
C -2.989229 1.365635 -0.260875
C 1.900442 -2.147474 -2.111387
C -4.092909 0.613162 0.396959
C -3.934888 -0.713072 0.874291
C -5.352111 1.249896 0.561848
C -5.035746 -1.342758 1.490659
C -6.251654 -0.628324 1.608792
H 2.498379 1.397633 -1.417309
H 0.936818 3.265354 -1.711499
H 2.706623 1.831350 1.600227
H -0.655919 2.757219 0.527914
H -0.035105 0.419737 -1.388333
H -1.040786 1.867913 -1.873907
H 3.455159 3.732217 -0.119365
H 0.796489 4.855140 0.053567
H 3.773298 -0.109364 2.660692
H 1.382052 -2.158831 -3.074875
H 4.277159 -4.582853 0.711986
H 3.722920 -5.338943 -0.792572
H -2.972359 -1.218884 0.761099
H -5.494909 2.274498 0.202102
H -4.958947 -2.364318 1.874774
H -7.127958 -1.084785 2.083066


