%chk=000005186.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000005186

0 1
 O  -0.9388000      -2.605000      0.4528000    
 O  -0.1449000       1.992800      0.5456000    
 O    6.254100     -6.5899998E-02   1.251800    
 O    7.446100       1.947600     -9.5700003E-02
 N  -0.4941000     -0.3145000      0.5730000    
 N    6.852400      0.8729000     -0.7711000    
 C    1.815900     -0.6225000     -0.2843000    
 C   0.8983000     -0.5605000      0.9328000    
 C    3.281100     -0.8560000      9.6699998E-02
 C   -3.192300      0.1611000     -1.5900001E-02
 C   -2.743800      -1.162500      9.5200002E-02
 C   -2.328700       1.253900      0.1417000    
 C    4.171500     -0.9261000      -1.148400    
 C   -1.320000      -1.438300      0.3902000    
 C  -0.8973000       1.026800      0.4382000    
 C   -4.560300      0.4016000     -0.2990000    
 C    5.636300      -1.189700     -0.8025000    
 C   -3.630000      -2.234500     -7.0100002E-02
 C   -2.804900       2.565600      2.2399999E-02
 C   -5.435500     -0.6828000     -0.4609000    
 C   -5.022100       1.721400     -0.4146000    
 C   -4.972100      -1.991700     -0.3471000    
 C   -4.149200       2.795300     -0.2549000    
 C    6.278200     -8.9100003E-02  2.4200000E-02
 H    1.733300      0.3104000     -0.8560000    
 H    1.479100      -1.424900     -0.9528000    
 H   0.9693000      -1.499100       1.495000    
 H    1.236500      0.2372000       1.605300    
 H    3.609200     -4.1700002E-02  0.7523000    
 H    3.368700      -1.789400      0.6655000    
 H    4.090200      1.4500000E-02  -1.706600    
 H    3.815200      -1.726200      -1.808100    
 H    6.207600      -1.326100      -1.728900    
 H    5.731300      -2.126700     -0.2408000    
 H   -3.294800      -3.264700      1.4000000E-02
 H   -2.145200       3.420700      0.1429000    
 H   -6.488700     -0.5175000     -0.6784000    
 H   -6.068700       1.925400     -0.6314000    
 H   -5.659200      -2.823200     -0.4747000    
 H   -4.518500       3.812600     -0.3469000    
 H    6.942900      0.8502000      -1.780700    
 H    8.224300       2.098300     -0.6586000    


%chk=000005186-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000005186

0 1
O -0.797722 -2.534417 0.557382
O -0.198874 2.097258 0.697194
O 6.089786 0.477446 0.877284
O 8.155687 1.593828 -0.328177
N -0.521946 -0.216319 0.656531
N 7.442749 0.509493 -0.948709
C 1.788147 -0.485230 -0.305298
C 0.921301 -0.414589 0.970730
C 3.266834 -0.773262 0.034173
C -3.277956 0.159326 0.016868
C -2.752600 -1.166550 0.137812
C -2.432851 1.299000 0.205090
C 4.144334 -0.844094 -1.235629
C -1.314770 -1.381018 0.458060
C -0.990964 1.122099 0.531523
C -4.673734 0.348635 -0.299511
C 5.639918 -1.164371 -0.954373
C -3.590504 -2.276674 -0.048712
C -2.958247 2.594351 0.080473
C -5.502465 -0.806296 -0.482287
C -5.178684 1.684682 -0.418519
C -4.969015 -2.094840 -0.358265
C -4.334823 2.786188 -0.231984
C 6.377072 -0.026864 -0.268375
H 1.707659 0.475416 -0.849904
H 1.393228 -1.281864 -0.965961
H 1.003285 -1.357431 1.536082
H 1.239204 0.432700 1.600102
H 3.667912 0.001361 0.713311
H 3.338864 -1.738171 0.577931
H 4.070562 0.110958 -1.793245
H 3.750437 -1.633444 -1.907104
H 6.151970 -1.423229 -1.902200
H 5.703524 -2.052355 -0.296180
H -3.157659 -3.277443 0.050455
H -2.285450 3.445194 0.229360
H -6.563270 -0.666548 -0.721282
H -6.238111 1.833158 -0.658453
H -5.610489 -2.970595 -0.499142
H -4.730061 3.802744 -0.325404
H 7.831040 0.260122 -1.855760
H 7.629082 1.681344 0.535312


