%chk=000094676.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000094676

0 1
 O   0.1565000       1.308300       1.575300    
 O    3.777700       2.102500     -0.1414000    
 O    1.603000       2.242600     -0.4064000    
 N   -2.912200      8.3899997E-02 -9.2399999E-02
 N    1.385100     -0.5388000     -0.2690000    
 N    2.944300      -2.072500      4.4999998E-03
 N    2.646100       1.545900     -0.2420000    
 C  -0.6415000      0.3567000      0.8673000    
 C   -2.035300      0.9624000      0.6698000    
 C   5.5399999E-02  4.1900001E-02 -0.4623000    
 C   -4.219800      0.7106000     -0.2980000    
 C   -3.069300      -1.204600      0.5855000    
 C    1.656900      -1.863600     -0.1599000    
 C    2.547700      0.1521000     -0.1715000    
 C   -4.082000       2.050500      -1.000600    
 C   -3.927500      -2.154400     -0.2327000    
 C    3.505200     -0.8200000     -1.3000000E-03
 C   0.6098000      -2.903400     -0.2251000    
 H  -0.6666000     -0.5235000       1.515600    
 H   -2.463300       1.213100       1.650300    
 H   -1.880500       1.918500      0.1569000    
 H   0.1065000      0.8848000      -1.152900    
 H  -0.5260000     -0.7030000      -1.016900    
 H   -4.842400      9.5100001E-02 -0.9553000    
 H   -4.763500      0.8442000      0.6458000    
 H   -2.110400      -1.713500      0.6973000    
 H   -3.497800      -1.088700       1.589100    
 H   -3.723400       2.839700     -0.3326000    
 H   -3.420300       1.988800      -1.871500    
 H   -5.064300       2.375500      -1.362300    
 H   -4.990300      -1.896300     -0.1964000    
 H   -3.604900      -2.194000      -1.278800    
 H   -3.840200      -3.168800      0.1731000    
 H   0.1516000       2.140300       1.072300    
 H    4.571500     -0.6885000      0.1173000    
 H    1.063600      -3.898100     -0.1586000    
 H  -8.9100003E-02  -2.810100      0.6097000    
 H   5.7100002E-02  -2.862700      -1.168300    


%chk=000094676-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000094676

0 1
O 0.120940 1.096745 2.075788
O 4.039407 2.049685 0.183007
O 1.800616 2.506439 0.304474
N -3.018171 -0.019385 0.265858
N 1.273978 -0.275219 -0.381603
N 2.849562 -1.913488 -0.597641
N 2.804212 1.676609 0.120203
C -0.673101 0.339327 1.110054
C -2.127592 0.872851 1.056074
C -0.066592 0.347685 -0.312431
C -4.072290 0.719689 -0.486808
C -3.576218 -1.130063 1.091925
C 1.511924 -1.620247 -0.637438
C 2.541020 0.307229 -0.163220
C -3.524966 1.471536 -1.714587
C -3.952061 -2.371205 0.260579
C 3.489006 -0.725601 -0.310581
C 0.439496 -2.617044 -0.938886
H -0.678683 -0.697050 1.499022
H -2.472124 1.002017 2.106902
H -2.116731 1.880419 0.599259
H 0.010795 1.382290 -0.683164
H -0.751873 -0.216394 -0.966609
H -4.816427 -0.020450 -0.832484
H -4.619428 1.431437 0.180379
H -2.807968 -1.418216 1.833519
H -4.462963 -0.785735 1.680271
H -2.787059 2.244994 -1.433535
H -3.036068 0.766539 -2.410251
H -4.347313 1.979384 -2.251309
H -4.737047 -2.148229 -0.484128
H -3.069070 -2.751507 -0.283925
H -4.334089 -3.174305 0.917670
H 0.563485 1.862592 1.612566
H 4.568279 -0.646522 -0.213389
H 0.907861 -3.609637 -1.013354
H -0.335712 -2.644925 -0.151938
H -0.069635 -2.399349 -1.896669


