%chk=000059332.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000059332

0 1
 O  -0.8540000       1.177700     -0.4962000    
 O  -0.7770000      -2.145700      0.3684000    
 O   -2.320000      -1.733700      -1.300800    
 O    2.525600      -1.439200     -0.3768000    
 N   -3.036100       1.948800      0.2302000    
 C   -2.665800     -0.8781000      0.9268000    
 C   -1.804900      0.2376000       1.528000    
 C   -3.990500     -0.3251000      0.4020000    
 C   -1.698300       1.473300      0.6189000    
 C   -3.802300      0.9151000     -0.4751000    
 C   -1.926700      -1.625000     -0.1473000    
 C   -2.960000       3.173900     -0.5641000    
 C   2.9100001E-02  -2.887500     -0.5525000    
 C    1.272300      -3.407300      0.1526000    
 C    2.130700      -2.278700      0.6992000    
 C    2.745400     -0.1185000     -8.2599998E-02
 C    2.522300      0.8642000      -1.041000    
 C    3.194700      0.2221000       1.188900    
 C    2.750900       2.203300     -0.7243000    
 C    2.040200      0.5098000      -2.409000    
 C    3.423200       1.561200       1.505700    
 C    3.201400       2.551700      0.5492000    
 H   -2.895800      -1.618100       1.705000    
 H  -0.8006000     -0.1290000       1.771000    
 H   -2.263000      0.5461000       2.477600    
 H   -4.543200      -1.089000     -0.1583000    
 H   -4.621700     -5.5300001E-02   1.259500    
 H   -1.196500       2.262400       1.192300    
 H   -3.325100      0.6491000      -1.426000    
 H   -4.799200       1.301900     -0.7211000    
 H   -2.459600       3.018400      -1.526500    
 H   -2.421800       3.955800     -1.7000001E-02
 H   -3.964400       3.565500     -0.7606000    
 H  -2.1800000E-02  0.8251000     -0.1409000    
 H  -0.5518000      -3.739100     -0.9258000    
 H   0.2976000      -2.251000      -1.403100    
 H    1.854800      -4.001100     -0.5611000    
 H   0.9817000      -4.061500      0.9825000    
 H    1.548600      -1.738800       1.457300    
 H    3.025300      -2.701100       1.171100    
 H    3.410600     -0.5172000       1.954000    
 H    2.582800       2.987400      -1.457700    
 H    1.893200       1.397500      -3.033600    
 H    2.769700     -0.1323000      -2.913500    
 H    1.080600     -1.3700000E-02  -2.353100    
 H    3.780600       1.832500       2.494800    
 H    3.380700       3.594100      0.7955000    


%chk=000059332-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000059332

0 1
O -0.809351 0.809038 -0.451278
O -0.909809 -2.332956 0.394986
O -2.526614 -2.024573 -1.247857
O 2.185079 -1.199165 -0.392930
N -2.896617 1.836365 0.205968
C -2.831151 -0.995103 0.997296
C -1.927428 0.081985 1.656503
C -4.119143 -0.332272 0.455560
C -1.668476 1.271973 0.711068
C -3.797709 0.859812 -0.466818
C -2.109414 -1.791631 -0.091873
C -2.716434 3.079667 -0.571972
C -0.061389 -3.023819 -0.616367
C 1.257695 -3.385374 0.071189
C 1.963299 -2.174761 0.689524
C 2.612315 0.094106 -0.038334
C 2.600255 1.047418 -1.102308
C 3.032845 0.452921 1.266522
C 3.028606 2.362361 -0.808346
C 2.135210 0.641955 -2.486059
C 3.451947 1.778732 1.524876
C 3.451972 2.737520 0.489877
H -3.095519 -1.734457 1.781145
H -0.966400 -0.361464 1.969312
H -2.442723 0.465325 2.557858
H -4.722249 -1.068598 -0.104613
H -4.715408 0.024621 1.316712
H -1.108416 2.064904 1.249149
H -3.352356 0.488991 -1.415159
H -4.734460 1.391282 -0.719069
H -2.238351 2.903536 -1.560017
H -2.082076 3.783329 -0.002759
H -3.700416 3.556617 -0.732436
H 0.140898 0.781798 -0.166024
H -0.592964 -3.920938 -0.981110
H 0.094120 -2.333537 -1.462542
H 1.917569 -3.861344 -0.678727
H 1.077664 -4.124687 0.875006
H 1.323295 -1.719723 1.470044
H 2.935210 -2.468107 1.135352
H 3.048141 -0.285961 2.073051
H 3.024192 3.105032 -1.614979
H 2.241503 1.478665 -3.197043
H 2.713793 -0.219806 -2.865148
H 1.073555 0.331053 -2.474531
H 3.779874 2.053377 2.533617
H 3.777735 3.764393 0.686182


