%chk=000057600.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000057600

2 1
 O    4.605300      -1.114800       1.657000    
 O   -4.601300      -1.118000      -1.651900    
 O    2.233200      0.1381000      0.8549000    
 O   -2.233800      0.1450000     -0.8483000    
 N    6.841400     -0.8106000     -0.4391000    
 N   -6.821100     -0.7911000      0.4224000    
 C    5.958100      0.2419000      0.2152000    
 C   -5.962400      0.2371000     -0.2166000    
 C    4.559900     -0.3056000      0.4806000    
 C   -4.561500     -0.3057000     -0.4775000    
 C    8.240700     -0.2463000     -0.6384000    
 C    6.912700      -2.040000      0.4552000    
 C    6.254000      -1.198400      -1.788500    
 C   -6.907600      -2.049300     -0.4524000    
 C   -6.256500      -1.198900       1.790200    
 C   -8.244800     -0.2579000      0.6335000    
 C    3.493200      0.7716000      0.6537000    
 C   -3.498600      0.7752000     -0.6511000    
 C    1.126100      0.8230000      0.4314000    
 C   -1.131300      0.8247000     -0.4295000    
 C  -3.4000000E-03  0.1264000      1.6000000E-03
 C    1.127600       2.217900      0.4299000    
 C   -1.129700       2.219600     -0.4309000    
 C  -3.0000001E-04   2.916200     -1.2000001E-03
 H    5.927600       1.097300     -0.4698000    
 H    6.450900      0.5479000       1.146000    
 H   -6.446800      0.5448000      -1.151500    
 H   -5.930300       1.098500      0.4611000    
 H    4.199700     -0.9579000     -0.3169000    
 H   -4.199100     -0.9545000      0.3221000    
 H    8.168600      0.6358000      -1.281500    
 H    8.647000      2.4300000E-02  0.3407000    
 H    8.864200      -1.011600      -1.110200    
 H    5.971900      -2.594000      0.4139000    
 H    7.704500      -2.689200      6.6100001E-02
 H    7.166700      -1.726700       1.472100    
 H    5.376400      -1.834900      -1.661200    
 H    6.010300     -0.2877000      -2.343300    
 H    7.013000      -1.769900      -2.333200    
 H   -7.168300      -1.749700      -1.471500    
 H   -5.965700      -2.601100     -0.4092000    
 H   -7.697000      -2.688400     -4.2900000E-02
 H   -6.026000     -0.2911000       2.355100    
 H   -7.024200      -1.778900       2.313000    
 H   -5.373600      -1.829100       1.668600    
 H   -8.184700      0.6242000       1.277700    
 H   -8.657300      6.6000000E-03 -0.3445000    
 H   -8.848400      -1.038400       1.105900    
 H    3.495300       1.397800     -0.2476000    
 H    3.717700       1.382400       1.535900    
 H   -3.503100       1.404100      0.2482000    
 H   -3.722600       1.382700      -1.535700    
 H    3.704400      -1.441400       1.822600    
 H   -3.698700      -1.441100      -1.815100    
 H  -4.4999998E-03 -0.9607000      3.0000000E-03
 H    1.975200       2.798600      0.7814000    
 H   -1.976300       2.801300     -0.7831000    
 H   7.9999998E-04   4.002400     -2.2000000E-03


%chk=000057600-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000057600

2 1
O 4.532651 -1.217482 0.820628
O -4.532564 -1.218324 -0.819840
O 2.376652 0.142606 -0.170738
O -2.377647 0.141826 0.174096
N 7.234820 -0.878037 -0.292853
N -7.235823 -0.879883 0.291614
C 6.119631 0.197613 -0.353936
C -6.120913 0.195994 0.353934
C 4.681192 -0.342589 -0.341373
C -4.682280 -0.343890 0.342362
C 8.528744 -0.244911 -0.812284
C 7.457944 -1.333064 1.158728
C 6.891183 -2.093787 -1.152194
C -7.456191 -1.335601 -1.160207
C -6.893883 -2.095319 1.152207
C -8.530773 -0.246623 0.808342
C 3.673855 0.822343 -0.271507
C -3.675127 0.821200 0.273893
C 1.209555 0.942728 -0.083857
C -1.210785 0.942305 0.087560
C -0.000524 0.224323 0.001426
C 1.227595 2.358338 -0.083498
C -1.229180 2.357921 0.088614
C -0.000893 3.047023 0.002866
H 6.282744 0.770171 -1.283679
H 6.293196 0.859966 0.511503
H -6.293898 0.858528 -0.511468
H -6.284897 0.768388 1.283628
H 4.467508 -0.911418 -1.270515
H -4.469457 -0.913043 1.271509
H 8.423346 -0.026073 -1.886107
H 8.724850 0.684609 -0.255902
H 9.358762 -0.950466 -0.655643
H 6.495107 -1.675118 1.561208
H 8.204396 -2.142222 1.156579
H 7.835541 -0.477702 1.740461
H 6.030063 -2.609192 -0.704177
H 6.661396 -1.765016 -2.177417
H 7.763693 -2.764639 -1.166758
H -7.833641 -0.480781 -1.742783
H -6.492432 -1.677141 -1.560904
H -8.201942 -2.145449 -1.159038
H -6.665942 -1.766067 2.177692
H -7.766643 -2.765875 1.165564
H -6.032096 -2.611033 0.705889
H -8.427203 -0.026840 1.882148
H -8.726186 0.682384 0.250852
H -9.360352 -0.952517 0.650918
H 3.719078 1.451867 -1.182658
H 3.849493 1.445708 0.628423
H -3.721436 1.450299 1.185291
H -3.849923 1.444975 -0.625908
H 3.561030 -1.371908 0.962912
H -3.560778 -1.372288 -0.961418
H -0.000343 -0.868607 0.000849
H 2.158823 2.926808 -0.147585
H -2.160552 2.926086 0.153345
H -0.001045 4.141398 0.003403


