%chk=000169236.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000169236

1 1
 O   0.1877000     -9.0099998E-02  3.3000000E-02
 O    1.691900      0.3195000      -1.666600    
 O   -2.170700       3.307300      0.3025000    
 O  -0.3267000       2.370200       1.245500    
 N   -2.238000      -1.674400      8.2300000E-02
 C   -2.221500     -0.1972000     -7.4900001E-02
 C  -0.9412000      0.2298000     -0.7866000    
 C   -1.017600      -2.149800      0.8817000    
 C   -3.502200      -2.127700      0.8243000    
 C   -2.212400      -2.367300      -1.286600    
 C  -0.9362000       1.741800      -1.008000    
 C    2.360800      0.5294000      0.6635000    
 C    3.544700     -0.4495000      0.7035000    
 C    1.404600      0.2605000     -0.4789000    
 C   -1.092100       2.484700      0.2970000    
 C    3.068100      -1.899400      0.8221000    
 C    4.400900     -0.2879000     -0.5538000    
 H   -3.111800      9.5500000E-02 -0.6443000    
 H   -2.291400      0.2260000      0.9340000    
 H  -0.8345000     -0.2464000      -1.765900    
 H   -1.247500      -3.150000       1.267000    
 H  -0.1500000      -2.264800      0.2284000    
 H  -0.8563000      -1.481000       1.732300    
 H   -3.494300      -3.218700      0.9051000    
 H   -3.496800      -1.668200       1.817100    
 H   -4.371000      -1.793300      0.2499000    
 H   -1.229100      -2.257600      -1.748900    
 H   -2.407800      -3.433000      -1.129400    
 H   -2.997500      -1.929800      -1.910000    
 H   -1.769900       2.009500      -1.669200    
 H  -3.0800000E-02   2.121200      -1.490600    
 H    2.707300       1.565200      0.5691000    
 H    1.817500      0.4745000       1.615200    
 H    4.158900     -0.2056000       1.578800    
 H    2.504300      -2.222100     -5.9200000E-02
 H    3.923900      -2.574200      0.9328000    
 H    2.427900      -2.025700       1.701600    
 H    3.920700     -0.6923000      -1.449500    
 H    4.648500      0.7636000     -0.7334000    
 H    5.345800     -0.8299000     -0.4311000    
 H   -2.260000       3.787900       1.152900    


%chk=000169236-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000169236

1 1
O 0.124313 0.307544 0.240087
O 1.518758 0.688789 -1.592745
O -1.260133 4.044742 0.217977
O -2.265022 2.291620 1.356428
N -2.062497 -1.784457 0.248544
C -2.239802 -0.275228 -0.058510
C -1.036395 0.449270 -0.683045
C -1.328245 -1.969330 1.582852
C -3.461044 -2.392464 0.377987
C -1.305577 -2.511425 -0.858840
C -1.340380 1.946050 -0.923215
C 2.511799 0.438582 0.672500
C 3.539866 -0.717822 0.419656
C 1.417081 0.506847 -0.363851
C -1.675181 2.731013 0.340463
C 2.841735 -2.096024 0.340904
C 4.428084 -0.459397 -0.818417
H -3.085135 -0.199287 -0.765857
H -2.523074 0.217542 0.886283
H -0.751606 0.017974 -1.661560
H -1.173822 -3.046569 1.751226
H -0.373436 -1.430638 1.531118
H -1.951110 -1.545527 2.385419
H -3.369239 -3.429526 0.735463
H -4.042814 -1.799280 1.099758
H -3.956532 -2.377425 -0.604875
H -0.261048 -2.170299 -0.871356
H -1.336270 -3.592486 -0.652731
H -1.788052 -2.305171 -1.826658
H -2.195919 2.048517 -1.620804
H -0.478564 2.413313 -1.425910
H 3.057054 1.401467 0.643494
H 2.055815 0.336011 1.671593
H 4.192201 -0.717351 1.315827
H 2.222112 -2.173005 -0.575468
H 3.591934 -2.904586 0.291794
H 2.203478 -2.285007 1.226193
H 3.829327 -0.408671 -1.744530
H 4.980233 0.493075 -0.722723
H 5.171408 -1.268832 -0.931375
H -1.518098 4.578151 1.019604


