%chk=000099415.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000099415

0 1
 O    2.086000     -0.9766000       1.015300    
 O   -4.251700     -0.6830000     -0.7231000    
 O    2.645600     -0.1442000      -1.082300    
 N   -2.451100      0.4098000      0.2649000    
 N   -4.549500       1.466500      8.3300002E-02
 N    4.198500     -0.1633000      0.6411000    
 C   -1.431900     -0.5696000      0.1644000    
 C  -0.1672000     -0.2804000      0.6469000    
 C   0.8366000      -1.243800      0.5464000    
 C   -1.724100      -1.791900     -0.4155000    
 C   -3.777300      0.3071000     -0.1619000    
 C   0.5598000      -2.481200     -3.4899998E-02
 C  -0.7205000      -2.755200     -0.5160000    
 C   -3.994200       2.643700      0.7478000    
 C   -5.949300       1.562900     -0.3107000    
 C    2.961400     -0.3967000      7.6700002E-02
 C    5.305500      0.4247000     -7.6399997E-02
 C    5.255100       1.908100      7.9599999E-02
 C    5.168500       2.763200     -0.9457000    
 H   5.2299999E-02  0.6826000       1.100700    
 H   -2.146300       1.272400      0.7024000    
 H   -2.682100      -2.090900     -0.8111000    
 H    1.336900      -3.236400     -0.1158000    
 H  -0.9343000      -3.719500     -0.9680000    
 H   -4.762700       3.413400      0.8670000    
 H   -3.178400       3.049300      0.1421000    
 H   -3.622300       2.362300       1.737400    
 H   -6.064100       2.402800      -1.002000    
 H   -6.556500       1.731900      0.5833000    
 H   -6.286200      0.6472000     -0.8027000    
 H    5.260300      0.1180000      -1.126900    
 H    6.229400      3.3599999E-02  0.3606000    
 H    4.332200     -0.4076000       1.617900    
 H    5.308000       2.311500       1.087900    
 H    5.143300       3.832800     -0.7682000    
 H    5.120100       2.415700      -1.971800    


%chk=000099415-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000099415

0 1
O 2.214151 -1.171587 -0.107832
O -4.505058 -0.827979 0.379332
O 2.209091 1.175971 -0.572145
N -2.479885 0.311100 -0.033145
N -4.537891 1.461857 -0.116672
N 4.160423 -0.126636 -0.535369
C -1.539989 -0.744614 0.117012
C -0.174309 -0.391269 -0.075939
C 0.813427 -1.385754 0.058795
C -1.899135 -2.079456 0.439232
C -3.879072 0.241869 0.095828
C 0.480723 -2.721108 0.378657
C -0.878009 -3.046541 0.564368
C -3.841695 2.714774 -0.443940
C -6.003865 1.490967 0.003522
C 2.805779 0.081834 -0.418469
C 5.098061 0.991162 -0.753902
C 5.690571 1.530308 0.539090
C 5.552626 2.810795 0.960450
H 0.117373 0.632870 -0.321332
H -2.066049 1.216182 -0.258842
H -2.950290 -2.331258 0.583645
H 1.274692 -3.466516 0.474907
H -1.151576 -4.077809 0.812922
H -4.589028 3.513347 -0.573305
H -3.273646 2.644989 -1.394470
H -3.154219 3.039751 0.364312
H -6.473449 1.807075 -0.947938
H -6.323368 2.182464 0.807109
H -6.344682 0.474109 0.250371
H 4.546566 1.789773 -1.277619
H 5.902554 0.633515 -1.425414
H 4.507964 -1.071421 -0.368294
H 6.261209 0.812545 1.147617
H 6.002628 3.159293 1.896934
H 4.977181 3.544598 0.383224


