%chk=000093604.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000093604

0 1
 O   0.1826000      0.5098000      -2.177100    
 O    2.929000      -2.609000     -0.1838000    
 O   0.9879000      -1.942100     -0.9744000    
 N   -3.126800      0.9960000     -0.1485000    
 N  -0.8917000      0.1412000     -0.1317000    
 N    2.090200      -1.710600     -0.4258000    
 C   -3.154000      -1.033000       1.124100    
 C   -2.228600     -1.5600000E-02 -0.7477000    
 C   -2.816900      -1.353200     -0.3246000    
 C   -3.833700      0.3310000      0.9692000    
 C   -1.838500     -0.9554000       1.918900    
 C  -0.8340000      5.1700000E-02   1.341700    
 C   -4.060100       1.553500      -1.121000    
 C   0.2067000      0.4302000     -0.9496000    
 C    1.507100      0.6698000     -0.3064000    
 C    2.401900     -0.3709000     -6.1600000E-02
 C    1.835000       1.974600      5.9500001E-02
 C    3.627300     -0.1061000      0.5504000    
 C    3.060100       2.239100      0.6715000    
 C    3.956300       1.198900      0.9170000    
 H   -3.823000      -1.777900       1.566100    
 H   -2.152000      6.6100001E-02  -1.836800    
 H   -2.115100      -2.187600     -0.4263000    
 H   -3.724400      -1.587600     -0.8941000    
 H   -4.895600      0.1749000      0.7387000    
 H   -3.772900      0.9327000       1.881800    
 H   -1.374800      -1.950500       1.914200    
 H   -2.039300     -0.7094000       2.968000    
 H   -1.054100       1.056500       1.722500    
 H   0.1718000     -0.1994000       1.687300    
 H   -4.688700      0.7854000      -1.585700    
 H   -3.515100       2.077400      -1.913900    
 H   -4.712300       2.293100     -0.6437000    
 H    1.144800       2.793500     -0.1260000    
 H    4.353000     -0.8878000      0.7594000    
 H    3.316300       3.255100      0.9572000    
 H    4.910000       1.405600       1.393700    


%chk=000093604-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000093604

0 1
O 0.187422 0.193121 -2.154799
O 3.071119 -2.726285 -0.040468
O 0.859846 -2.180014 -0.006817
N -3.333211 0.885467 -0.127148
N -0.965508 0.327816 -0.129805
N 2.113705 -1.862777 0.005700
C -3.109431 -1.217556 0.985089
C -2.295833 0.087989 -0.797423
C -2.684935 -1.382646 -0.501126
C -4.021647 0.039242 0.885897
C -1.830489 -0.967399 1.834951
C -1.036712 0.281179 1.348041
C -4.134005 1.837164 -0.899640
C 0.178524 0.308086 -0.883011
C 1.507115 0.574022 -0.186926
C 2.469073 -0.426540 0.109423
C 1.905726 1.923517 -0.013888
C 3.778576 -0.116716 0.541187
C 3.201871 2.253065 0.436949
C 4.144313 1.231960 0.709574
H -3.662995 -2.087097 1.379251
H -2.176502 0.328771 -1.864784
H -1.846495 -2.081371 -0.651543
H -3.538743 -1.690342 -1.132987
H -5.043284 -0.254617 0.548292
H -4.123433 0.568469 1.854414
H -1.184569 -1.862187 1.765768
H -2.093485 -0.819739 2.900207
H -1.549287 1.199234 1.690821
H -0.015883 0.275622 1.763896
H -4.923681 1.353908 -1.525661
H -3.479920 2.426349 -1.565532
H -4.638331 2.548041 -0.218227
H 1.189500 2.716525 -0.253093
H 4.476925 -0.934055 0.739851
H 3.480078 3.304425 0.565619
H 5.152987 1.485368 1.050448


