%chk=000088431.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000088431

0 1
 O  -0.7256000       1.914300     -0.3368000    
 O   -1.983200      -3.948400     -4.8200000E-02
 O   -3.943500      -2.317100      0.2023000    
 O   -6.007100     -0.8228000      0.4690000    
 O    7.397500      -1.340900      0.3815000    
 N    1.378500      0.4519000     -0.6076000    
 N   -2.664900       3.592900     -8.7399997E-02
 C  -0.9135000     -0.4254000     -0.2648000    
 C   -1.754500      -1.531300     -0.1248000    
 C   -2.913900       1.128500     -7.4999998E-03
 C   -3.754900      2.2600001E-02  0.1327000    
 C   0.4606000     -0.6131000     -0.4576000    
 C   -1.462400      0.9449000     -0.2119000    
 C   -3.205900      -1.347800      7.9200000E-02
 C   -1.221800      -2.825000     -0.1782000    
 C   -3.446700       2.422100      4.5100000E-02
 C   0.9873000      -1.904000     -0.5102000    
 C   -5.128900      0.2103000      0.3252000    
 C   0.1480000      -3.007500     -0.3708000    
 C    2.739600      0.5862000     -0.2820000    
 C   -4.816500       2.604600      0.2370000    
 C   -5.655800       1.501100      0.3765000    
 C    5.444600      0.8537000      0.3653000    
 C    3.563400       1.422600      -1.039600    
 C    3.274900     -0.1156000      0.8010000    
 C    6.888600      0.9956000      0.7101000    
 C    4.913700       1.556000     -0.7165000    
 C    4.625200      1.7800000E-02   1.124100    
 C    7.777300     -2.6400000E-02 -5.4000001E-03
 H    2.042400      -2.090500     -0.6905000    
 H   0.9910000       1.260300      -1.084700    
 H   0.5676000      -4.008900     -0.4200000    
 H   -5.246700       3.602400      0.2802000    
 H   -6.720100       1.665100      0.5252000    
 H    3.162400       1.974600      -1.886100    
 H    2.656700     -0.7534000       1.427100    
 H    7.009500      0.8842000       1.795600    
 H    7.232900       2.009000      0.4695000    
 H    5.542200       2.208500      -1.316700    
 H    5.024200     -0.5303000       1.973500    
 H   -3.106400       4.502000     -4.0300000E-02
 H   -1.666400       3.536100     -0.2277000    
 H   -2.915300      -3.719500      8.2599998E-02
 H    8.825100      0.1282000      0.2705000    
 H    7.680200      5.8200002E-02  -1.092900    
 H   -6.906300     -0.4730000      0.5908000    
 H    7.984800      -1.957000     -8.8500001E-02


%chk=000088431-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000088431

0 1
O -0.736817 2.045662 -0.230226
O -2.054724 -3.931199 -0.116440
O -3.996631 -2.434002 0.025931
O -6.118206 -0.908480 0.240679
O 7.716205 -1.304478 0.803862
N 1.341079 0.549274 -0.241509
N -2.753488 3.608255 -0.047450
C -0.934034 -0.352093 -0.148422
C -1.803834 -1.495377 -0.107826
C -2.976242 1.149992 -0.020099
C -3.847930 -0.005826 0.048736
C 0.495606 -0.549233 -0.208297
C -1.520440 0.984684 -0.134986
C -3.258660 -1.353528 -0.011021
C -1.260162 -2.819914 -0.155863
C -3.541161 2.480501 0.022786
C 1.001499 -1.894410 -0.294761
C -5.254632 0.187947 0.167881
C 0.151889 -2.994651 -0.271136
C 2.751444 0.593286 -0.089434
C -4.959120 2.622283 0.144395
C -5.789207 1.505374 0.215942
C 5.589524 0.864722 0.223485
C 3.465278 1.601851 -0.790844
C 3.470897 -0.263247 0.790396
C 7.096550 1.005500 0.373920
C 4.859692 1.732246 -0.629557
C 4.865699 -0.129442 0.934734
C 7.903379 -0.196245 -0.151852
H 2.076135 -2.048007 -0.419252
H 0.799758 1.446746 -0.318124
H 0.537983 -4.014741 -0.353342
H -5.390874 3.628911 0.181155
H -6.874746 1.642603 0.309577
H 2.920763 2.270493 -1.467252
H 2.934169 -1.000969 1.395098
H 7.373973 1.138699 1.437874
H 7.441191 1.909108 -0.164222
H 5.389659 2.518383 -1.181714
H 5.411058 -0.795981 1.609689
H -3.174066 4.533635 -0.007254
H -1.735352 3.443338 -0.138869
H -3.050794 -3.552645 -0.047363
H 8.978075 0.079627 -0.208636
H 7.550354 -0.481378 -1.165211
H -7.055131 -0.591368 0.322472
H 8.122293 -2.130106 0.439647


