%chk=000038372.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000038372

0 1
 O   0.6113000       2.033300      -1.866000    
 O   -1.911400      0.5332000     -0.3298000    
 O   -2.861600      -2.832000     -0.2838000    
 O   -2.324200      -1.490400      -1.936200    
 N    1.712700       1.105900     -4.3900002E-02
 N   -2.500500      -1.690800     -0.6980000    
 C    2.473400      0.1211000     -0.7804000    
 C    3.829500     -0.1375000     -0.1152000    
 C    1.678700      -1.178800     -0.9451000    
 C    3.700000     -0.9176000       1.193000    
 C    1.552800      -1.957200      0.3646000    
 C    2.915400      -2.212000       1.001500    
 C   0.8366000       1.987400     -0.6597000    
 C   0.1711000       2.908600      0.3475000    
 C   -1.351100       2.768500      0.3494000    
 C   -1.778000       1.369300      0.7125000    
 C   -2.056600      0.7880000       1.898700    
 C   -2.400800     -0.5471000       1.579300    
 C   -2.297100     -0.6518000      0.2117000    
 H    2.658400      0.5345000      -1.779700    
 H    4.346400      0.8105000      7.6800004E-02
 H    4.461700     -0.7103000     -0.8057000    
 H    2.185200      -1.813800      -1.683200    
 H   0.6786000     -0.9707000      -1.342300    
 H    3.208700     -0.2996000       1.953600    
 H    4.699500      -1.150800       1.577900    
 H    1.050400      -2.912700      0.1759000    
 H   0.9201000      -1.400500       1.066300    
 H    3.491500      -2.896300      0.3664000    
 H    2.783400      -2.710000       1.968600    
 H    1.780900       1.100300      0.9690000    
 H   0.5611000       2.734900       1.357300    
 H   0.4454000       3.935200      7.7600002E-02
 H   -1.755200       3.023400     -0.6379000    
 H   -1.783100       3.477000       1.065700    
 H   -2.023300       1.242900       2.878000    
 H   -2.687200      -1.331200       2.266100    


%chk=000038372-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000038372

0 1
O 0.704395 2.457349 -1.371393
O -1.398253 0.495726 1.487437
O -2.659777 -2.849168 1.751760
O -0.740593 -1.892106 2.586280
N 1.823854 1.065114 0.126970
N -1.847895 -1.848268 1.913429
C 2.560251 0.300849 -0.908885
C 3.928232 -0.166731 -0.352459
C 1.727624 -0.912120 -1.412989
C 3.787399 -1.274312 0.723066
C 1.579049 -2.008652 -0.332067
C 2.959460 -2.471232 0.194778
C 0.943237 2.078209 -0.180149
C 0.260559 2.753035 1.021353
C -1.267012 2.869719 0.791081
C -1.962830 1.543967 0.729123
C -3.105691 1.073837 0.079895
C -3.276491 -0.307043 0.434522
C -2.221025 -0.619334 1.283668
H 2.708287 1.003155 -1.749368
H 4.487252 0.701519 0.046427
H 4.516481 -0.569663 -1.200666
H 2.244313 -1.335506 -2.298704
H 0.739936 -0.552821 -1.756698
H 3.300209 -0.870235 1.636769
H 4.792808 -1.610812 1.040686
H 1.022116 -2.870604 -0.746383
H 0.976383 -1.625693 0.516633
H 3.519070 -2.962031 -0.628921
H 2.829151 -3.227067 0.992221
H 1.894552 0.753277 1.097450
H 0.468830 2.218580 1.964901
H 0.672371 3.775111 1.114152
H -1.442352 3.395916 -0.164276
H -1.710796 3.487561 1.597264
H -3.737086 1.657559 -0.586160
H -4.053318 -0.994183 0.109749


