%chk=000072018.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000072018

0 1
 O   0.9062000       2.293400      -1.364900    
 O    1.752200      0.1181000       2.272400    
 O    2.601400     -0.6543000      -3.173400    
 O    1.266500      -1.364100      -1.467500    
 O   -2.541800       1.746600      -2.119100    
 O   -4.072300       2.179700     -0.5039000    
 N    2.048400      0.7790000     -1.1400000E-02
 N    3.544200     -0.6519000      0.9605000    
 N   -1.051200       2.558600      0.4132000    
 C    2.947900      0.3282000      -1.066000    
 C    4.091700     -0.3637000     -0.3464000    
 C   0.2576000       2.184200      0.9228000    
 C    1.087400       1.771100     -0.2638000    
 C    2.368800      8.4700003E-02   1.215200    
 C   -1.866600       1.379900      0.1475000    
 C   -2.471400      0.8754000       1.465200    
 C    2.168000     -0.6550000      -1.889100    
 C   0.9176000       3.345900       1.639700    
 C   -3.340900     -0.3840000       1.325800    
 C    4.263200      -1.448800       1.930300    
 C   -2.952200       1.803200     -0.8265000    
 C   -2.637800      -1.564000      0.7010000    
 C   -2.668700      -1.741800     -0.6822000    
 C   -1.956300      -2.476500       1.506500    
 C   -2.018600      -2.832300      -1.259900    
 C   -1.306000      -3.566900      0.9286000    
 C   -1.337300      -3.744800     -0.4546000    
 H    3.263900       1.172200      -1.687900    
 H    4.940800      0.3139000     -0.2080000    
 H    4.429000      -1.286300     -0.8286000    
 H   0.1374000       1.383500       1.642300    
 H   -1.282000      0.5906000     -0.3366000    
 H   -1.530000       3.168700       1.075400    
 H   -3.090300       1.658200       1.924600    
 H   -1.686800      0.6439000       2.194300    
 H    1.912300       3.068800       2.005700    
 H   0.3231000       3.669400       2.501200    
 H    1.047900       4.208600      0.9756000    
 H   -4.246800     -0.1600000      0.7492000    
 H   -3.706300     -0.6714000       2.320700    
 H    4.463700      -2.433600       1.500700    
 H    3.673200      -1.557900       2.843800    
 H    5.206100     -0.9481000       2.166200    
 H    2.104000      -1.292500      -3.728100    
 H   -3.205400      -1.048500      -1.323000    
 H   -1.922400      -2.347000       2.584900    
 H   -3.246500       2.031100      -2.739300    
 H   -2.044400      -2.972000      -2.336600    
 H  -0.7743000      -4.276800       1.555400    
 H  -0.8305000      -4.593400     -0.9045000    


%chk=000072018-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000072018

0 1
O 0.658508 2.201811 -1.016983
O 2.630689 0.142882 2.251257
O 2.349700 -0.025722 -3.529985
O 1.142264 -0.995863 -1.790196
O -2.285959 1.082258 -1.994823
O -2.532459 3.171916 -1.022981
N 2.286733 0.948375 0.000702
N 4.063936 -0.380467 0.443885
N -1.061927 2.186471 1.244903
C 2.901778 0.707722 -1.319237
C 4.249734 -0.004120 -0.963656
C 0.359984 1.870205 1.419985
C 1.097803 1.705239 0.062645
C 2.961891 0.217630 1.040591
C -1.867736 1.267092 0.409259
C -3.165644 0.824240 1.154105
C 2.004171 -0.189930 -2.185522
C 1.041233 2.982104 2.253730
C -3.929878 -0.361742 0.493361
C 5.027597 -1.180061 1.193201
C -2.238424 1.961167 -0.905209
C -3.163340 -1.677650 0.566504
C -2.218167 -2.035342 -0.432094
C -3.347861 -2.556553 1.666297
C -1.472589 -3.231421 -0.327725
C -2.610950 -3.758116 1.769320
C -1.667702 -4.099151 0.771589
H 3.057718 1.649604 -1.865373
H 5.105031 0.688948 -1.087177
H 4.430047 -0.889178 -1.599761
H 0.463295 0.920777 1.975101
H -1.279115 0.364038 0.173089
H -1.234746 3.169980 0.994753
H -3.836309 1.700111 1.251854
H -2.849201 0.541167 2.174777
H 2.080533 2.709810 2.497764
H 0.483171 3.106147 3.197161
H 1.033783 3.944877 1.709012
H -4.160652 -0.113634 -0.559456
H -4.897963 -0.469019 1.019067
H 5.131257 -2.189698 0.754101
H 4.656677 -1.275616 2.226674
H 6.023456 -0.695876 1.214662
H 1.783009 -0.614819 -4.097748
H -2.064103 -1.371281 -1.290639
H -4.077624 -2.297047 2.444274
H -2.526448 1.599049 -2.812683
H -0.736422 -3.475992 -1.101451
H -2.771640 -4.425929 2.623849
H -1.091440 -5.028094 0.852626


