%chk=000029832.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000029832

0 1
 O    3.011900       1.238200     -3.9999999E-04
 O  -0.1681000      -2.122000     -3.0000001E-04
 O   -1.488100       2.312000     -1.9999999E-04
 N    1.458100     -0.4762000     -9.9999997E-05
 N   0.7735000       1.823700     -9.9999997E-05
 N  -0.8759000      8.0899999E-02  1.9999999E-04
 C    5.372600      0.8382000      1.9700000E-02
 C   -1.702900      -3.959200      2.0000000E-02
 C   -3.777800       3.010800     -2.0900000E-02
 C    6.474600     -0.2173000      4.4999998E-03
 C   -3.169900      -4.379000      4.9000001E-03
 C   -5.235600       2.559800     -5.7999999E-03
 C    3.988200      0.2058000     -6.0000003E-04
 C   -1.551300      -2.444700     -1.9999999E-04
 C   -2.822700       1.825900     -1.9999999E-04
 C    7.855100      0.4188000     -1.8800000E-02
 C   -3.316300      -5.892000     -1.8400000E-02
 C   -6.185600       3.746500      1.6899999E-02
 C    1.698100      0.8472000     -1.9999999E-04
 C   0.1512000     -0.7842000       0.000000    
 C  -0.4892000       1.366700     -9.9999997E-05
 H    5.469500       1.476400      0.9069000    
 H    5.476700       1.507900     -0.8435000    
 H   -1.200400      -4.364500      0.9072000    
 H   -1.177100      -4.386600     -0.8431000    
 H   -3.578800       3.624500     -0.9083000    
 H   -3.571500       3.656400      0.8420000    
 H    6.362600     -0.8609000     -0.8759000    
 H    6.387700     -0.8592000      0.8888000    
 H   -3.669400      -3.957900     -0.8753000    
 H   -3.680400      -3.980400      0.8893000    
 H   -5.423600       1.934500      0.8747000    
 H   -5.444900       1.946600     -0.8900000    
 H    3.881000     -0.4088000     -0.9032000    
 H    3.866300     -0.4272000      0.8875000    
 H   -2.028800      -2.042600     -0.9026000    
 H   -2.036900      -2.020900      0.8879000    
 H   -3.002500       1.228400      0.9024000    
 H   -2.997400       1.205100     -0.8881000    
 H    7.985900       1.040300     -0.9104000    
 H    8.012600       1.046500      0.8641000    
 H    8.629000     -0.3551000     -2.7799999E-02
 H   -2.845600      -6.318200     -0.9100000    
 H   -2.853500      -6.344400      0.8645000    
 H   -4.374800      -6.170300     -2.7300000E-02
 H   -6.024500       4.361200      0.9084000    
 H   -6.045300       4.378000     -0.8661000    
 H   -7.223900       3.400700      2.6000001E-02


%chk=000029832-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000029832

0 1
O 2.946541 1.163320 -0.004006
O -0.232870 -2.233300 -0.006757
O -1.509603 2.304082 0.003778
N 1.381647 -0.594106 -0.005707
N 0.723907 1.756838 -0.000246
N -0.970338 0.007160 -0.001533
C 5.344895 0.846522 -0.001230
C -1.692261 -4.162208 -0.002658
C -3.760584 3.185128 0.003316
C 6.539440 -0.136715 -0.002633
C -3.137205 -4.716304 -0.000643
C -5.281934 2.903369 0.003600
C 4.007613 0.107932 -0.006347
C -1.672621 -2.634404 -0.004886
C -2.945682 1.892447 0.003952
C 7.899246 0.593937 0.001650
C -3.170498 -6.259600 0.000188
C -6.117015 4.201733 0.003834
C 1.644566 0.748309 -0.003513
C 0.053622 -0.894774 -0.004526
C -0.561327 1.317273 0.000606
H 5.396418 1.500468 0.890216
H 5.399690 1.506975 -0.887677
H -1.146461 -4.531679 0.886382
H -1.147954 -4.534258 -0.891545
H -3.488753 3.785237 -0.885824
H -3.488646 3.786173 0.891795
H 6.476693 -0.795439 -0.892668
H 6.474098 -0.801076 0.883009
H -3.682019 -4.335309 -0.888399
H -3.679875 -4.334363 0.888009
H -5.546351 2.294168 0.891981
H -5.546706 2.294157 -0.884660
H 3.875142 -0.522874 -0.904268
H 3.872183 -0.530350 0.885791
H -2.159929 -2.208588 -0.901461
H -2.158694 -2.205717 0.890940
H -3.137801 1.275020 0.900956
H -3.138032 1.273682 -0.892030
H 8.004390 1.240719 -0.889390
H 8.001040 1.236406 0.896199
H 8.740819 -0.122481 0.001503
H -2.661642 -6.666714 -0.893397
H -2.657954 -6.665815 0.892082
H -4.207962 -6.640131 0.002545
H -5.894855 4.815014 0.896963
H -5.894057 4.815858 -0.888525
H -7.200421 3.983676 0.003236


