%chk=000125678.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000125678

0 1
 O    3.470500       1.505800      0.3221000    
 N   -2.982300       1.094000     -0.1890000    
 C   -1.042100     -0.4428000     -0.3645000    
 C   -1.567100      0.9168000      0.1573000    
 C   -1.885400      -1.568600      0.2671000    
 C  -0.7380000       2.049900     -0.4480000    
 C   0.4633000     -0.5803000     -0.1683000    
 C   -3.376200      -1.331600      2.4900001E-02
 C   0.7021000       1.956700      4.8599999E-02
 C   -3.807300      6.8300001E-02  0.4485000    
 C    1.277000      0.5630000     -1.3800000E-02
 C    1.087400      -1.838800     -0.2288000    
 C    2.667200      0.4175000      0.1354000    
 C    2.470700      -1.968600     -8.9699998E-02
 C    3.260300     -0.8412000      9.8300003E-02
 H   -1.198400     -0.4820000      -1.453700    
 H   -1.463700      0.9678000       1.251000    
 H   -1.690600      -1.622900       1.346000    
 H   -1.626000      -2.546200     -0.1526000    
 H   -1.149700       3.028700     -0.1728000    
 H  -0.7581000       1.992100      -1.544700    
 H   -3.595300      -1.474900      -1.041100    
 H   -3.961000      -2.079800      0.5720000    
 H   0.7442000       2.294900       1.091900    
 H    1.311900       2.645300     -0.5485000    
 H   -3.093000       1.035400      -1.201400    
 H   -4.854500      0.2294000      0.1698000    
 H   -3.754300      0.1705000       1.539100    
 H   0.5098000      -2.743300     -0.3948000    
 H    2.929100      -2.952300     -0.1329000    
 H    4.334900     -0.9572000      0.2090000    
 H    4.393800       1.212100      0.4050000    


%chk=000125678-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000125678

0 1
O 3.450898 1.566471 0.310264
N -3.011051 1.131994 -0.100895
C -1.041879 -0.447299 -0.379126
C -1.561968 0.928072 0.146236
C -1.885314 -1.590167 0.251985
C -0.732530 2.069119 -0.461450
C 0.475449 -0.593129 -0.183388
C -3.395742 -1.375248 -0.013162
C 0.732773 1.980137 0.010395
C -3.844437 0.035405 0.452108
C 1.291045 0.563114 -0.020738
C 1.086229 -1.876656 -0.201578
C 2.691739 0.386297 0.135346
C 2.480006 -2.024885 -0.057459
C 3.297981 -0.887657 0.114944
H -1.241290 -0.458592 -1.476572
H -1.422096 0.941619 1.249565
H -1.693532 -1.617564 1.344573
H -1.581840 -2.574411 -0.150217
H -1.171796 3.040084 -0.168223
H -0.780099 2.003571 -1.568974
H -3.597681 -1.482484 -1.099412
H -3.989261 -2.153484 0.506853
H 0.813432 2.369206 1.046326
H 1.380606 2.640025 -0.595463
H -3.191244 1.270212 -1.107986
H -4.899794 0.221736 0.179425
H -3.777863 0.090290 1.557617
H 0.469471 -2.771237 -0.331490
H 2.932589 -3.022272 -0.077790
H 4.384721 -0.992348 0.232218
H 4.411677 1.347781 0.397464


