%chk=000148972.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000148972

0 1
 O   -4.590000       2.395900      0.8303000    
 O   -1.967200      0.4238000      -2.391500    
 O    4.170600     -0.4946000      0.4978000    
 N   -2.077100     -0.6089000     -0.3069000    
 N   -3.195200       1.422700     -0.7302000    
 C   -3.793100      0.1743000       1.286100    
 C   -2.417000     -0.4523000       1.101600    
 C   -1.211500      -1.719700     -0.6692000    
 C   -3.890900       1.448600      0.4743000    
 C   -4.920300     -0.7753000      0.8863000    
 C   -2.372100      0.4027000      -1.227200    
 C   0.2229000      -1.393300     -0.3585000    
 C   0.7423000      -1.710000      0.8898000    
 C    1.010200     -0.7791000      -1.323500    
 C    2.872500     -0.7902000      0.2158000    
 C    2.073000      -1.407000       1.178300    
 C    2.341000     -0.4761000      -1.035100    
 C    4.735500      0.6400000     -0.1575000    
 C    5.814100       1.236300      0.7339000    
 C    6.452400       2.462000      0.1055000    
 H   -3.914100      0.4391000       2.343600    
 H   -1.650200      0.1941000       1.546000    
 H   -2.378900      -1.425700       1.602800    
 H   -1.319200      -1.929100      -1.740600    
 H   -1.540900      -2.624500     -0.1448000    
 H   -4.872600      -1.046800     -0.1737000    
 H   -4.880600      -1.696500       1.476700    
 H   -5.896100     -0.3072000       1.056800    
 H   -3.330300       2.223600      -1.341100    
 H   0.1309000      -2.193100       1.646600    
 H   0.6128000     -0.5393000      -2.305400    
 H    2.481600      -1.654200       2.154300    
 H    2.936200     -2.2200000E-02  -1.821800    
 H    3.981200       1.416800     -0.3390000    
 H    5.168800      0.3217000      -1.112700    
 H    5.383500       1.499500       1.707600    
 H    6.581300      0.4801000      0.9387000    
 H    5.709300       3.246800     -6.8000004E-02
 H    7.225800       2.867300      0.7654000    
 H    6.919900       2.213200     -0.8526000    


%chk=000148972-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000148972

0 1
O -5.183938 2.173921 0.409407
O -2.288417 0.119916 -2.595205
O 4.106030 -0.077907 0.826872
N -2.260527 -0.655028 -0.373397
N -3.626548 1.178056 -1.000503
C -4.011620 0.151107 1.209421
C -2.551603 -0.321669 1.038648
C -1.228533 -1.681362 -0.675031
C -4.330975 1.267832 0.210172
C -5.037962 -1.001760 1.039996
C -2.678013 0.183644 -1.390933
C 0.185330 -1.249842 -0.301047
C 0.843775 -1.792928 0.832549
C 0.870722 -0.285247 -1.080389
C 2.815453 -0.416415 0.397217
C 2.144905 -1.386191 1.183778
C 2.174312 0.137171 -0.741802
C 4.860951 0.914488 0.037147
C 6.222876 1.086720 0.713456
C 7.106318 2.106123 -0.038884
H -4.130755 0.590059 2.215958
H -1.847411 0.455035 1.402230
H -2.381675 -1.229834 1.644405
H -1.300988 -1.877531 -1.758462
H -1.505327 -2.604451 -0.131631
H -4.911822 -1.506414 0.065512
H -4.901405 -1.752795 1.838971
H -6.068923 -0.614150 1.102964
H -3.871610 1.844979 -1.739386
H 0.337853 -2.551640 1.443385
H 0.376334 0.134892 -1.964395
H 2.661644 -1.804523 2.052885
H 2.676415 0.880622 -1.367716
H 4.303763 1.874686 0.015566
H 4.978710 0.549350 -1.004872
H 6.064068 1.414087 1.757770
H 6.725621 0.102763 0.757934
H 6.628839 3.103298 -0.077697
H 8.083006 2.221750 0.462974
H 7.299625 1.782590 -1.078968


