%chk=000091276.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000091276

0 1
 O    2.242300       1.316600       1.239100    
 O   0.7230000      -1.799700      0.1191000    
 O   0.6751000      -2.871100      -2.350000    
 N   -2.730800      0.4730000      0.3565000    
 N    3.037100      -1.992300      0.2715000    
 C   -3.993500      0.4302000       1.107400    
 C   -2.764200     -0.4438000     -0.7915000    
 C   -4.282500     -0.9813000       1.620300    
 C   -3.012900      -1.884100     -0.3406000    
 C   -4.292000      -1.994400      0.4812000    
 C   -2.445300       1.837400     -8.6499996E-02
 C  -0.9762000       2.049500     -0.3383000    
 C  -3.6100000E-02   1.579400      0.5788000    
 C  -0.5552000       2.716100      -1.488900    
 C    1.325000       1.775900      0.3450000    
 C   0.8058000       2.912600      -1.722800    
 C    1.745900       2.442400     -0.8058000    
 C    3.517700      0.9369000      0.7242000    
 C    4.078700     -0.1886000       1.584800    
 C    3.194700      -1.428800       1.584400    
 C    1.805000      -2.132100     -0.3572000    
 C    1.938400      -2.753900      -1.730900    
 H   -4.829200      0.7758000      0.4847000    
 H   -3.934800       1.097800       1.975700    
 H   -3.543100     -0.1478000      -1.507000    
 H   -1.807800     -0.4234000      -1.327500    
 H   -3.521200      -1.267400       2.357200    
 H   -5.248900     -0.9969000       2.136800    
 H   -3.077900      -2.540300      -1.215800    
 H   -2.163100      -2.233900      0.2588000    
 H   -4.396400      -3.009100      0.8807000    
 H   -5.159300      -1.810800     -0.1649000    
 H   -2.715400       2.558700      0.6974000    
 H   -3.047600       2.105200     -0.9649000    
 H  -0.3476000       1.067300       1.485800    
 H   -1.276600       3.089500      -2.210800    
 H    1.132900       3.437900      -2.615400    
 H    2.793200       2.643300      -1.010800    
 H    4.188600       1.802100      0.7744000    
 H    3.464700      0.5898000     -0.3152000    
 H    5.082000     -0.4462000       1.225500    
 H    4.178300      0.1608000       2.619500    
 H    2.215700      -1.209300       2.023400    
 H    3.660400      -2.203200       2.203700    
 H    3.870400      -2.333600     -0.1989000    
 H    2.382200      -3.749600      -1.634400    
 H    2.581900      -2.122200      -2.351000    
 H   0.8194000      -3.269000      -3.225400    


%chk=000091276-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000091276

0 1
O 2.057354 0.962922 1.229023
O 0.621777 -2.118575 -0.425966
O 3.425036 -3.201140 -2.566967
N -2.912064 0.700292 0.434856
N 2.949036 -2.218858 -0.093598
C -4.301311 0.648298 0.949555
C -2.633353 -0.413484 -0.510659
C -4.569569 -0.685148 1.677378
C -2.852465 -1.779857 0.166992
C -4.280745 -1.886040 0.746783
C -2.561587 2.026581 -0.116494
C -1.057887 2.226488 -0.297489
C -0.147238 1.554017 0.542670
C -0.561606 3.089105 -1.310070
C 1.243614 1.716330 0.359871
C 0.829089 3.268166 -1.469100
C 1.748530 2.580598 -0.642510
C 3.431057 0.662270 0.798178
C 3.871080 -0.581962 1.578001
C 2.963610 -1.808055 1.318118
C 1.800478 -2.329883 -0.845302
C 2.057112 -2.704631 -2.319650
H -5.048678 0.763983 0.117761
H -4.450043 1.497429 1.644401
H -3.294692 -0.333712 -1.415728
H -1.586553 -0.339987 -0.850908
H -3.911248 -0.740329 2.566164
H -5.618595 -0.706236 2.032459
H -2.661488 -2.583006 -0.569420
H -2.102667 -1.895320 0.971651
H -4.410355 -2.839026 1.295018
H -5.016998 -1.889001 -0.084857
H -2.942757 2.789295 0.593848
H -3.069739 2.228490 -1.096236
H -0.522292 0.863127 1.303148
H -1.261684 3.607217 -1.976651
H 1.207650 3.939056 -2.249027
H 2.825176 2.724257 -0.779627
H 4.098129 1.520806 1.017764
H 3.445744 0.466431 -0.293407
H 4.924385 -0.810138 1.315295
H 3.846461 -0.361083 2.661764
H 1.922986 -1.562488 1.587211
H 3.296804 -2.651977 1.954043
H 3.823209 -2.434252 -0.586807
H 1.954726 -1.792898 -2.932113
H 1.280290 -3.424733 -2.637086
H 3.453086 -4.177942 -2.410880


