%chk=000114840.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000114840

0 1
 O    3.664200       2.829400      7.5300001E-02
 O    5.524100      0.7941000     -0.2512000    
 O   -6.243100      0.7290000      0.4432000    
 N  -0.2554000      -1.846900      0.7518000    
 C   1.2200000E-02 -0.4372000      0.4094000    
 C    1.486200     -0.1175000      0.2408000    
 C    2.430800      -1.145500      6.6399999E-02
 C    2.007000      -2.590200      0.1175000    
 C   0.5048000      -2.766900     -9.5700003E-02
 C  -0.7980000     -2.8100001E-02 -0.8265000    
 C    1.919700       1.217400      0.2403000    
 C   -2.247100      0.1731000     -0.4889000    
 C    3.786300     -0.8250000     -9.1499999E-02
 C    3.269500       1.526000      7.2200000E-02
 C    4.201900      0.5056000     -9.3699999E-02
 C   -3.128800     -0.8978000     -0.5756000    
 C   -2.691900       1.428500     -9.2200004E-02
 C   -4.474900     -0.7105000     -0.2614000    
 C   -4.037900       1.615900      0.2223000    
 C   -4.929500      0.5465000      0.1374000    
 H  -0.3267000      0.1450000       1.277500    
 H    2.543400      -3.165000     -0.6468000    
 H    2.288600      -2.993200       1.098700    
 H   0.2475000      -2.638600      -1.152900    
 H   0.2313000      -3.796000      0.1638000    
 H  -0.6982000     -0.7429000      -1.652700    
 H  -0.4184000      0.9131000      -1.247700    
 H   -1.247700      -2.059400      0.7029000    
 H    1.193800       2.016700      0.3743000    
 H    4.515400      -1.623700     -0.2090000    
 H   -2.793900      -1.878800     -0.9009000    
 H   -2.005900       2.268200     -2.0000000E-02
 H   -5.159900      -1.550900     -0.3351000    
 H   -4.385900       2.597300      0.5331000    
 H    2.884600       3.396900      0.2022000    
 H    6.020400     -3.6400001E-02 -0.3511000    
 H   -6.713200     -0.1150000      0.3300000    


%chk=000114840-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000114840

0 1
O 4.089313 2.725635 -0.156508
O 5.695941 0.568551 -0.509087
O -6.431669 0.260830 0.366375
N -0.267756 -1.574963 0.917596
C 0.057393 -0.189553 0.525806
C 1.559383 -0.044075 0.273592
C 2.402373 -1.172229 0.107341
C 1.858534 -2.587738 0.248650
C 0.330139 -2.618922 0.061888
C -0.765394 0.321916 -0.733070
C 2.123274 1.254164 0.184023
C -2.262368 0.302107 -0.493009
C 3.780253 -0.965143 -0.156573
C 3.493648 1.456348 -0.070178
C 4.337556 0.325476 -0.249360
C -3.048423 -0.825475 -0.844201
C -2.916843 1.390675 0.146598
C -4.435376 -0.872303 -0.574111
C -4.296979 1.363262 0.425192
C -5.057201 0.226246 0.064391
H -0.224838 0.465934 1.374698
H 2.346297 -3.264848 -0.479556
H 2.092470 -2.967517 1.262803
H 0.091984 -2.497040 -1.024724
H -0.070820 -3.599107 0.376962
H -0.495117 -0.311913 -1.598667
H -0.425738 1.347558 -0.969467
H -1.275151 -1.701231 1.075081
H 1.478314 2.132644 0.331007
H 4.434827 -1.838608 -0.289072
H -2.574331 -1.672204 -1.356205
H -2.336259 2.279301 0.424224
H -5.023655 -1.753024 -0.864252
H -4.801462 2.203340 0.911803
H 3.408943 3.430336 -0.015324
H 6.181449 -0.288884 -0.601940
H -6.877413 -0.572345 0.073474


