%chk=000077741.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000077741

0 1
 O   -3.373100       2.244400       1.057100    
 O    3.371800       2.244400      -1.057000    
 O   -5.465500      -2.298600      6.6600002E-02
 O    5.464200      -2.298500     -6.6399999E-02
 O   -7.430800     -0.1994000      -1.604100    
 O    7.429500     -0.1993000       1.604300    
 N   -4.871800     -8.8600002E-02  0.6162000    
 N    4.889300     -8.8900000E-02 -0.6184000    
 C  -0.7182000     -7.1800001E-02  9.1300003E-02
 C   0.7170000     -7.1699999E-02 -9.1300003E-02
 C   -1.370900       1.094600      0.4904000    
 C    1.369600       1.094600     -0.4903000    
 C   -3.485600     -7.2999999E-02  0.4449000    
 C    3.484300     -7.2899997E-02 -0.4447000    
 C   -2.754700       1.094100      0.6670000    
 C    2.753400       1.094100     -0.6669000    
 C   -1.449200      -1.238800     -0.1308000    
 C    1.448000      -1.238700      0.1310000    
 C   -2.832800      -1.239400      4.6100002E-02
 C    2.831600      -1.239400     -4.5899998E-02
 C   -5.751600      -1.162900      0.4367000    
 C    5.750300      -1.162800     -0.4364000    
 C   -7.195400     -0.7936000      0.7196000    
 C    7.194100     -0.7936000     -0.7194000    
 C   -3.822400       3.119800      2.5100000E-02
 C    3.821200       3.119900     -2.5000000E-02
 C   -7.962600     -0.3390000     -0.5036000    
 C    7.961300     -0.3389000      0.5038000    
 C   -9.426600     -4.8099998E-02 -0.3033000    
 C    9.425400     -4.8099998E-02  0.3035000    
 H  -0.8329000       2.014800      0.7040000    
 H   0.8317000       2.014900     -0.7039000    
 H  -0.9875000      -2.161500     -0.4718000    
 H   0.9862000      -2.161500      0.4722000    
 H   -3.324100      -2.181000     -0.1514000    
 H    3.323200      -2.180800      0.1516000    
 H   -5.279000      0.7959000      0.9113000    
 H    5.294200      0.7968000     -0.9131000    
 H   -7.238700      1.5000000E-03   1.471600    
 H   -7.691600      -1.677700       1.134800    
 H    7.240600     -3.9999999E-04  -1.473400    
 H    7.690000      -1.679100      -1.132600    
 H   -2.972300       3.494900     -0.5536000    
 H   -4.531100       2.612100     -0.6367000    
 H   -4.328400       3.968900      0.4927000    
 H    2.971100       3.494900      0.5538000    
 H    4.530000       2.612100      0.6367000    
 H    4.327000       3.969000     -0.4926000    
 H   -9.873900      0.2643000      -1.251000    
 H   -9.934900     -0.9501000      4.6200000E-02
 H   -9.543200      0.7576000      0.4257000    
 H    9.872700      0.2645000       1.251100    
 H    9.933700     -0.9501000     -4.5800000E-02
 H    9.542100      0.7575000     -0.4256000    


%chk=000077741-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000077741

0 1
O -3.626967 1.849835 0.968284
O 3.627114 1.851731 -0.964766
O -5.694570 -2.501981 -0.145956
O 5.694579 -2.502048 0.141946
O -7.125103 1.504289 0.429454
O 7.125113 1.504960 -0.427294
N -5.007764 -0.325227 0.436037
N 5.007868 -0.324503 -0.437137
C -0.741879 -0.417015 0.059819
C 0.741992 -0.416905 -0.060832
C -1.442548 0.758453 0.456558
C 1.442676 0.759350 -0.455219
C -3.601347 -0.428291 0.287724
C 3.601455 -0.427769 -0.288801
C -2.843264 0.751547 0.569596
C 2.843392 0.752641 -0.568291
C -1.500871 -1.583746 -0.214964
C 1.500974 -1.584184 0.211628
C -2.906908 -1.596809 -0.105261
C 2.907009 -1.597050 0.101879
C -5.946457 -1.316403 0.229889
C 5.946518 -1.316012 -0.232413
C -7.410232 -0.916695 0.549764
C 7.410307 -0.915872 -0.551512
C -2.952792 3.115052 1.251922
C 2.952876 3.117316 -1.246591
C -7.855008 0.500589 0.182361
C 7.855175 0.500899 -0.182156
C -9.211928 0.644357 -0.480324
C 9.212445 0.643680 0.480030
H -0.877762 1.658202 0.718201
H 0.877903 1.659644 -0.715012
H -0.991399 -2.490951 -0.555113
H 0.991506 -2.492058 0.549991
H -3.481059 -2.497184 -0.330179
H 3.481151 -2.497856 0.325091
H -5.370273 0.612766 0.685617
H 5.370405 0.613921 -0.685121
H -7.540621 -1.023913 1.647685
H -8.054014 -1.673556 0.075020
H 7.540923 -1.021595 -1.649560
H 8.054074 -1.673362 -0.077738
H -2.253507 3.013257 2.104322
H -2.405997 3.483604 0.362325
H -3.757579 3.817883 1.511754
H 2.253505 3.016654 -2.099053
H 2.406151 3.484657 -0.356446
H 3.757610 3.820542 -1.505518
H -9.474613 1.706788 -0.596663
H -9.192947 0.160065 -1.476009
H -9.991609 0.125831 0.108847
H 9.475205 1.705934 0.597799
H 9.193979 0.157916 1.475002
H 9.991813 0.126023 -0.110322


