%chk=000034429.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000034429

0 1
 O   0.6454000      0.2462000      0.7318000    
 O   2.5800001E-02  4.8000000E-02  -1.507900    
 O    2.244200       3.880000     -6.9100000E-02
 O   0.5205000       2.664600      0.5545000    
 N    2.147600      -2.021700      0.4821000    
 N    1.713600       2.774500      0.1882000    
 C    2.704800     -0.8265000      0.2100000    
 C    4.048600     -0.7083000     -0.2027000    
 C    1.952400      0.3385000      0.3326000    
 C    2.498000       1.595000      5.8100000E-02
 C    4.597500      0.5555000     -0.4789000    
 C    3.822300       1.703900     -0.3482000    
 C    4.806300      -1.880600     -0.3268000    
 C   -1.654500      9.3000000E-03  0.2204000    
 C    4.234800      -3.113700     -4.7400001E-02
 C  -0.2636000      0.1003000     -0.3204000    
 C   -4.061200     -0.2597000     -0.4102000    
 C   -2.626400     -0.1404000     -0.6990000    
 C    2.913300      -3.129200      0.3502000    
 C   -1.853400      0.1371000       1.703100    
 C   -4.614100      -1.515400     -0.1999000    
 C   -4.844100      0.8848000     -0.3520000    
 C   -5.977100      -1.628600      7.4100003E-02
 C   -6.207100      0.7715000     -7.7900000E-02
 C   -6.773600     -0.4851000      0.1353000    
 H    5.633100      0.6513000     -0.7978000    
 H    4.287100       2.660200     -0.5722000    
 H    5.846200      -1.839100     -0.6422000    
 H    4.806000      -4.030100     -0.1381000    
 H   -2.396900     -0.2067000      -1.760300    
 H    2.413300      -4.063800      0.5821000    
 H   -1.474200       1.099700       2.061400    
 H   -1.326500     -0.6660000       2.229100    
 H   -2.905400      7.6899998E-02   1.996700    
 H   -4.004700      -2.414300     -0.2448000    
 H   -4.415300       1.870000     -0.5163000    
 H   -6.418300      -2.607100      0.2400000    
 H   -6.827300       1.661800     -3.0300001E-02
 H   -7.834800     -0.5733000      0.3488000    


%chk=000034429-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000034429

0 1
O 0.670163 0.666480 0.457626
O -0.016754 -0.346137 -1.541990
O 2.845333 4.111268 -0.118034
O 0.855049 3.144650 -0.672564
N 1.950547 -1.784297 0.517208
N 2.097338 3.077833 -0.341985
C 2.694695 -0.670762 0.164376
C 4.111209 -0.726698 -0.121333
C 2.011151 0.596969 0.088568
C 2.745483 1.749484 -0.233705
C 4.820404 0.477874 -0.435659
C 4.153216 1.696304 -0.475977
C 4.741530 -2.012098 -0.060885
C -1.658575 0.101310 0.245097
C 3.982140 -3.133787 0.274421
C -0.323724 0.070820 -0.409442
C -4.125186 -0.483006 -0.254456
C -2.686158 -0.386486 -0.533442
C 2.588134 -2.967946 0.563646
C -1.765031 0.614606 1.665155
C -4.879977 -1.429448 -1.012638
C -4.827149 0.330462 0.685726
C -6.264813 -1.590592 -0.812853
C -6.216154 0.177692 0.874918
C -6.940364 -0.788515 0.137411
H 5.894720 0.431065 -0.644092
H 4.671512 2.632752 -0.696608
H 5.812245 -2.097722 -0.277092
H 4.430636 -4.130327 0.327691
H -2.378196 -0.786095 -1.511469
H 1.977458 -3.834221 0.843153
H -1.896173 1.713707 1.689036
H -0.841917 0.392480 2.222480
H -2.615247 0.151092 2.192183
H -4.361692 -2.046452 -1.756783
H -4.297843 1.112687 1.235254
H -6.818672 -2.331312 -1.399867
H -6.738109 0.820544 1.592404
H -8.018933 -0.904681 0.290621


