%chk=000093863.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000093863

0 1
 O   0.6261000      -1.047900      -1.129100    
 O    5.307800      -1.299300     -0.9818000    
 O   -1.739900      -1.552300       2.008400    
 O   -7.346200     -0.9556000       1.169900    
 O    7.274700      -2.268800      -1.630400    
 O   -6.963000      -2.047300     -0.7839000    
 N   -1.931700     -0.9968000     -0.2365000    
 N    1.132800      0.7029000      0.3489000    
 C   -1.177800      0.2326000     -0.1681000    
 C   -1.662600       1.220000      -1.236300    
 C   0.2922000     -0.1404000     -0.3719000    
 C   -2.951000       1.915300     -0.8706000    
 C   -2.945100      -3.041700      0.5257000    
 C   -2.150500      -1.795100      0.8768000    
 C   -4.324400      -2.746300     -6.0600001E-02
 C    2.545600      0.6689000      0.4103000    
 C    5.362500      0.6119000      0.5386000    
 C   -4.174700       1.352200      -1.233400    
 C   -2.918600       3.120900     -0.1695000    
 C    4.647000     -0.3049000     -0.2329000    
 C    3.253100     -0.2901000     -0.3070000    
 C   -5.212400      -1.959900      0.9060000    
 C    3.233500       1.597600       1.189300    
 C    4.631400       1.570100       1.253500    
 C    6.828800      0.5227000      0.5579000    
 C   -5.365700       1.994600     -0.8952000    
 C   -4.109800       3.763100      0.1687000    
 C   -5.333200       3.200000     -0.1942000    
 C    7.430400     -0.4333000     -0.1639000    
 C    7.627000       1.494000       1.377700    
 C    6.689700      -1.407600     -0.9829000    
 C   -6.575700      -1.679500      0.3164000    
 H   -1.302800      0.6578000      0.8358000    
 H  -0.8947000       1.987100      -1.406400    
 H   -1.778300      0.7191000      -2.207400    
 H   -2.214800      -1.333200      -1.152300    
 H   -3.047300      -3.646600       1.434300    
 H   -2.357400      -3.629800     -0.1891000    
 H   -4.234600      -2.198500      -1.006100    
 H   -4.810500      -3.698700     -0.3070000    
 H   0.6989000       1.436500      0.9050000    
 H   -4.214300      0.4140000      -1.780000    
 H   -1.971700       3.568000      0.1212000    
 H    2.793900      -1.044600     -0.9297000    
 H   -4.752200     -0.9958000       1.147100    
 H   -5.351500      -2.531000       1.830400    
 H    2.694300       2.353400       1.755300    
 H    5.127500       2.312700       1.873000    
 H   -6.318300       1.555300      -1.176500    
 H   -4.084700       4.701300      0.7153000    
 H   -6.260700       3.699700      6.9799997E-02
 H    8.512100     -0.5285000     -0.1730000    
 H    7.364900       1.415400       2.438200    
 H    7.450700       2.522000       1.043500    
 H    8.704000       1.308600       1.296900    
 H   -8.232700     -0.7696000      0.7934000    


%chk=000093863-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000093863

0 1
O 0.822186 0.882764 -2.120501
O 5.590002 0.330337 -1.773583
O -0.842206 -0.086428 2.011038
O -7.132272 -0.673516 1.590822
O 7.663586 0.198948 -2.777597
O -6.425854 -2.041537 -0.145608
N -1.727020 -0.289954 -0.116878
N 1.151684 0.637545 0.203866
C -1.138506 0.981376 -0.604635
C -1.909692 1.496150 -1.842234
C 0.380421 0.823888 -0.936077
C -3.395431 1.682054 -1.569660
C -2.345847 -1.981496 1.597390
C -1.599415 -0.712192 1.185263
C -3.757266 -2.195443 1.001460
C 2.550648 0.449289 0.293345
C 5.359879 0.064044 0.667419
C -4.356104 0.822597 -2.160829
C -3.849923 2.707709 -0.698974
C 4.792859 0.288499 -0.624384
C 3.412812 0.480900 -0.828124
C -4.769421 -1.120685 1.449886
C 3.087724 0.222950 1.599995
C 4.462165 0.036577 1.774351
C 6.802302 -0.121092 0.778650
C -5.735469 0.973719 -1.884819
C -5.225513 2.866354 -0.423624
C -6.173760 1.996335 -1.013671
C 7.575720 -0.075803 -0.367076
C 7.436212 -0.358925 2.131761
C 7.034801 0.147552 -1.702636
C -6.146805 -1.353050 0.861361
H -1.226255 1.705951 0.229666
H -1.439751 2.448959 -2.145154
H -1.741142 0.798924 -2.682979
H -2.334067 -0.806273 -0.757948
H -2.391387 -1.958495 2.700400
H -1.701458 -2.843380 1.330225
H -3.737469 -2.243664 -0.104548
H -4.118498 -3.189702 1.324343
H 0.600045 0.546459 1.085177
H -4.026882 0.038899 -2.855464
H -3.123905 3.392814 -0.242661
H 3.025264 0.648866 -1.833661
H -4.444934 -0.109828 1.128897
H -4.854956 -1.081132 2.550854
H 2.411364 0.195627 2.461538
H 4.854711 -0.134611 2.781563
H -6.459226 0.293129 -2.345845
H -5.559319 3.666785 0.246011
H -7.240980 2.121476 -0.800618
H 8.660142 -0.209755 -0.324645
H 7.031542 -1.272566 2.606573
H 7.234514 0.482933 2.820499
H 8.528329 -0.474581 2.043641
H -8.018081 -0.821700 1.160038


