%chk=000127560.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000127560

0 1
 O    2.425500       2.917200       2.248400    
 O  -0.7544000       2.719900     -0.1902000    
 O   -3.462900      -1.974400       2.775700    
 N    1.580200      0.8563000       1.498200    
 N  -0.8590000       1.285400      -2.020600    
 N    4.422600      -1.472600     -0.8459000    
 C    1.166700       1.412100     -0.7456000    
 C    1.216600      0.2343000      0.2331000    
 C    1.997300       2.521800     -9.9399999E-02
 C    2.033700       2.165000       1.367400    
 C    2.181700     -0.8476000     -0.2098000    
 C  -0.2422000       1.893600     -0.9408000    
 C    1.457800      0.1488000       2.758500    
 C    1.750800      -2.154000     -0.3866000    
 C    3.511600     -0.5563000     -0.4485000    
 C   -2.224300       1.558200      -2.407800    
 C   -3.104200      0.3111000      -2.370300    
 C    2.658700      -3.125000     -0.7947000    
 C   -3.200000     -0.3003000     -0.9940000    
 C    3.971300      -2.736500      -1.009100    
 C   -2.279000      -1.263200     -0.6122000    
 C   -4.207500      0.1118000     -0.1359000    
 C   -2.367900      -1.828500      0.6600000    
 C   -4.296300     -0.4533000       1.136200    
 C   -3.376600      -1.423600       1.534000    
 H    1.580700       1.170700      -1.733000    
 H   0.2208000     -0.1997000      0.3709000    
 H    1.586700       3.526700     -0.2339000    
 H    3.025300       2.517100     -0.4753000    
 H    2.109600     -0.7285000       2.742400    
 H   0.4183000     -0.1649000       2.886600    
 H    1.746300      0.7978000       3.589200    
 H  -0.3342000      0.6289000      -2.591100    
 H   0.7177000      -2.434400     -0.2090000    
 H    3.922200      0.4377000     -0.3195000    
 H   -2.189300       1.948500      -3.430500    
 H   -2.643200       2.342500      -1.767700    
 H   -4.109300      0.5628000      -2.731700    
 H   -2.716500     -0.4394000      -3.071900    
 H    2.348800      -4.153600     -0.9395000    
 H    4.718400      -3.455900      -1.327900    
 H   -1.493300      -1.588900      -1.287400    
 H   -4.926800      0.8684000     -0.4361000    
 H   -1.649300      -2.584200      0.9646000    
 H   -5.086200     -0.1285000       1.808200    
 H   -4.217100      -1.577900       3.244500    


%chk=000127560-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000127560

0 1
O 3.353311 3.635476 1.979548
O -1.223931 2.610889 -0.149607
O -3.534986 -3.197324 1.985071
N 2.345002 1.531516 1.627541
N -0.626000 1.393481 -2.044880
N 3.265898 -2.052919 -0.614466
C 1.120382 1.935544 -0.385067
C 1.280895 0.910624 0.809931
C 1.641735 3.273870 0.187881
C 2.562049 2.882342 1.348598
C 1.615417 -0.497059 0.336118
C -0.339590 2.016889 -0.845115
C 2.895511 0.886081 2.820606
C 0.635955 -1.518974 0.323550
C 2.912740 -0.821933 -0.142603
C -1.976401 1.368253 -2.631730
C -2.575624 -0.051459 -2.768859
C 0.981331 -2.800011 -0.161698
C -2.785751 -0.831514 -1.472956
C 2.299546 -3.021860 -0.619384
C -2.800971 -2.251739 -1.513246
C -3.022712 -0.201486 -0.225312
C -3.049736 -3.025408 -0.362345
C -3.271752 -0.961781 0.940304
C -3.289765 -2.375192 0.870245
H 1.775339 1.598715 -1.209837
H 0.330351 0.879967 1.386638
H 0.801651 3.870396 0.590414
H 2.181573 3.890609 -0.547870
H 3.448941 -0.034093 2.562672
H 2.093694 0.625935 3.539514
H 3.584085 1.605570 3.294242
H 0.124975 0.899524 -2.531703
H -0.380763 -1.319825 0.682379
H 3.708677 -0.066332 -0.136299
H -1.947122 1.838369 -3.634173
H -2.603284 2.008244 -1.988158
H -3.549771 0.067325 -3.289143
H -1.943864 -0.650630 -3.455314
H 0.242610 -3.606897 -0.182640
H 2.608613 -4.001276 -1.001903
H -2.617994 -2.764958 -2.465820
H -2.995045 0.890227 -0.138657
H -3.071568 -4.118762 -0.399509
H -3.454950 -0.449309 1.894057
H -3.718905 -2.653707 2.790985


