%chk=000131013.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000131013

0 1
 O    2.935800       2.332300       1.151700    
 O   -6.472400      -1.216600      0.6211000    
 O   -5.673100      5.5399999E-02  -1.100200    
 N    3.574700      0.4125000     -2.1600001E-02
 N   -1.983900     -0.3199000       1.132100    
 N   -2.775200      0.6092000     -0.7255000    
 N   -4.288200     -0.6528000      0.6623000    
 C    5.223100      -1.989600      9.5100001E-02
 C    5.515800     -0.7458000      0.9513000    
 C    3.736700      -2.029700     -0.2987000    
 C    4.991100      0.5427000      0.3192000    
 C    3.255300     -0.7140000     -0.9076000    
 C    6.136800      -2.060100      -1.131000    
 C    2.662200       1.359400      0.4503000    
 C    1.246700       1.191700      9.9699996E-02
 C   0.4199000      0.4474000      0.9445000    
 C   0.7584000       1.778200      -1.067900    
 C  -0.9156000      0.3220000      0.5601000    
 C   -1.435000      0.8939000     -0.5980000    
 C  -0.5863000       1.638900      -1.433900    
 C   -3.070800     -0.1192000      0.3276000    
 C   -5.485300     -0.5405000     -4.6799999E-02
 C   -7.770700      -1.195500      1.6100001E-02
 H    5.436500      -2.878100      0.7036000    
 H    6.591300     -0.6555000       1.142600    
 H    5.030900     -0.8775000       1.927700    
 H    3.144900      -2.234800      0.6032000    
 H    3.547000      -2.854100     -0.9955000    
 H    5.147300       1.378200       1.009100    
 H    5.533300      0.7796000     -0.6029000    
 H    3.744400     -0.5226000      -1.869200    
 H    2.183500     -0.7824000      -1.105400    
 H    5.999900      -1.208900      -1.804000    
 H    7.188400      -2.078600     -0.8254000    
 H    5.941900      -2.973500      -1.703100    
 H   0.7917000     -1.2800000E-02   1.853700    
 H    1.420400       2.353400      -1.711600    
 H  -0.9590000       2.097900      -2.344000    
 H   -1.970500     -0.8471000       1.995000    
 H   -4.320900      -1.191200       1.524300    
 H   -7.735000      -1.663400     -0.9722000    
 H   -8.138600     -0.1675000     -5.4099999E-02
 H   -8.450500      -1.769000      0.6518000    


%chk=000131013-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000131013

0 1
O 2.400020 0.403113 2.289606
O -6.897864 -0.479552 0.108068
O -5.050191 -1.143034 1.409695
N 3.532616 0.159686 0.265205
N -2.636510 -0.150297 0.526369
N -2.784134 1.168093 -1.349928
N -4.832447 0.243643 -0.480342
C 5.529445 -1.924040 -0.432718
C 5.417109 -1.315428 0.993587
C 4.153853 -1.804112 -1.145627
C 4.833668 0.116498 0.975737
C 3.585111 -0.361694 -1.120608
C 6.677527 -1.289927 -1.256582
C 2.370714 0.359911 1.013050
C 1.065577 0.564756 0.283326
C -0.092761 -0.002930 0.866958
C 0.962528 1.398306 -0.875060
C -1.320330 0.251005 0.236925
C -1.434187 1.075323 -0.938965
C -0.275718 1.666145 -1.490587
C -3.446176 0.424996 -0.446977
C -5.545385 -0.514967 0.432953
C -7.782097 -1.249253 1.013751
H 5.761130 -3.003601 -0.325107
H 6.412085 -1.296225 1.479783
H 4.758258 -1.949676 1.617870
H 3.424245 -2.472282 -0.646429
H 4.237536 -2.136381 -2.199324
H 4.660628 0.476872 2.002167
H 5.528935 0.813343 0.465963
H 4.217596 0.309564 -1.736653
H 2.574109 -0.358325 -1.553827
H 6.532840 -0.205469 -1.414073
H 7.647501 -1.423183 -0.742441
H 6.754933 -1.763392 -2.253160
H 0.000409 -0.588364 1.786421
H 1.868762 1.871293 -1.268638
H -0.350053 2.319645 -2.364377
H -2.999565 -0.738383 1.281984
H -5.331769 0.715507 -1.237095
H -7.715900 -0.851170 2.039813
H -7.495353 -2.313871 1.013492
H -8.789794 -1.110145 0.599295


