%chk=000153127.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000153127

0 1
 O    4.140100       1.580000     -0.3771000    
 O  -0.5965000      -2.642100     -0.3440000    
 O    1.019900      -1.351800      -2.485100    
 O   0.2790000      0.1253000       2.020700    
 O   -7.988800       1.368200      0.3922000    
 O   -7.152200     -0.6534000       2.107000    
 O    5.716800      -1.143800      0.9949000    
 O    7.906000      -1.273100      0.4184000    
 N    8.181400       1.380900       1.205900    
 C   -3.142400      -1.378100     -0.6046000    
 C   -1.954500     -0.6960000      7.7900000E-02
 C    6.550200       1.473900     -0.6746000    
 C   -4.433300     -0.6482000     -0.3363000    
 C   0.6193000     -0.6325000     -0.2309000    
 C  -0.6154000      -1.407100     -0.1800000    
 C    6.879500      0.9232000      0.7216000    
 C    5.175400       1.083800      -1.212700    
 C    2.979900      0.8509000     -0.3290000    
 C    1.395900     -0.6333000      -1.389500    
 C    1.022900      0.1100000      0.8787000    
 C    2.576300      0.1083000      -1.438500    
 C    2.203200      0.8518000      0.8297000    
 C   -5.208100     -0.9870000      0.7730000    
 C   -4.853700      0.3654000      -1.197300    
 C   -6.403300     -0.3121000       1.021300    
 C   -6.048900       1.040200     -0.9491000    
 C   -6.823700      0.7015000      0.1603000    
 C    6.921400     -0.5952000      0.6828000    
 C   -8.346400       2.390400     -0.5359000    
 H   -3.232000      -2.417700     -0.2642000    
 H   -2.967300      -1.440800      -1.686500    
 H   -1.870600      0.3396000     -0.2738000    
 H   -2.111600     -0.6693000       1.162500    
 H    7.310700       1.143700      -1.394000    
 H    6.601600       2.569800     -0.6316000    
 H    6.121900       1.239400       1.447900    
 H    5.143900     -7.4999998E-03  -1.316800    
 H    5.053500       1.524000      -2.209800    
 H    3.140500      0.1082000      -2.366900    
 H    2.526000       1.432900       1.690000    
 H   -4.878100      -1.776500       1.444100    
 H   -4.256700      0.6385000      -2.063500    
 H   -6.312200       1.816000      -1.659700    
 H    8.195200       2.399700       1.234900    
 H    8.319500       1.067400       2.166200    
 H   0.1787000      -1.808000      -2.322100    
 H   0.7154000      0.6946000       2.677400    
 H   -6.706700      -1.373100       2.586100    
 H    5.745000      -2.124000      0.9728000    
 H   -9.298400       2.813400     -0.1983000    
 H   -8.517400       1.983600      -1.538400    
 H   -7.617700       3.208200     -0.5363000    


%chk=000153127-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000153127

0 1
O 4.406812 0.891461 -0.260650
O -1.013018 -2.069502 -2.044910
O 1.413315 -2.264339 -2.407480
O -0.318890 1.275597 0.473962
O -8.121394 1.285480 1.221829
O -6.820902 -0.668514 2.517886
O 7.125290 -1.440728 1.123575
O 8.757439 -0.348115 2.352191
N 7.914063 2.122456 1.538010
C -3.449960 -1.135742 -1.183488
C -2.163586 -0.422234 -0.699914
C 6.814037 1.023436 -0.407309
C -4.697331 -0.495561 -0.592858
C 0.451882 -0.516892 -0.979106
C -0.891725 -1.033257 -1.264066
C 7.071278 0.994768 1.134379
C 5.590540 0.241284 -0.882761
C 3.148888 0.367788 -0.542994
C 1.593252 -1.181336 -1.592055
C 0.754661 0.609420 -0.138463
C 2.920525 -0.743027 -1.376729
C 2.066849 1.048071 0.080600
C -5.180611 -0.894474 0.681131
C -5.390060 0.531304 -1.272009
C -6.314042 -0.291599 1.263019
C -6.529240 1.147158 -0.700103
C -7.004025 0.747392 0.569435
C 7.756677 -0.286916 1.604559
C -8.856141 2.336511 0.517553
H -3.390838 -2.206000 -0.914172
H -3.485169 -1.101867 -2.287155
H -2.193412 0.653458 -0.958210
H -2.104483 -0.425441 0.405735
H 7.712896 0.663505 -0.940735
H 6.687443 2.086394 -0.680402
H 6.067657 0.994207 1.624110
H 5.631731 -0.816456 -0.568938
H 5.492521 0.302489 -1.984409
H 3.721887 -1.293690 -1.871589
H 2.286621 1.908956 0.721336
H -4.666551 -1.700077 1.225504
H -5.046375 0.852532 -2.262255
H -7.046384 1.935469 -1.255565
H 7.436464 3.017180 1.642233
H 8.610723 1.909449 2.255654
H 0.370173 -2.433813 -2.443553
H 0.011016 2.032282 1.020584
H -6.276131 -1.404615 2.893890
H 7.594107 -2.242059 1.483577
H -9.682397 2.605819 1.191661
H -9.263871 1.970066 -0.445390
H -8.219013 3.224524 0.334654


