%chk=000113226.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000113226

0 1
 O    2.170600      -1.332900       1.178200    
 O  -0.1849000      -2.593800      -1.581800    
 O    2.085400      -2.697300      -1.626800    
 N    3.430200       1.112300      0.4654000    
 N    3.007800       2.267600      -1.456600    
 C   0.1650000       1.317600     -0.1732000    
 C    1.242900       2.320200      0.2268000    
 C   -1.234800       1.751200      0.2732000    
 C    2.582700       1.894000     -0.2747000    
 C   -2.288200      0.7108000     -0.1159000    
 C    4.691800       1.001800     -0.2195000    
 C   -3.681300       1.129100      0.3588000    
 C    4.349900       1.625100      -1.578900    
 C   -4.790000      0.1683000     -8.1500001E-02
 C    3.280100      0.6940000       1.834000    
 C   -6.217700      0.5795000      0.2911000    
 C    3.274200     -0.8231000       1.916200    
 C   -7.284300     -0.3848000     -0.2279000    
 C   -8.681800      7.2499998E-02  0.1618000    
 C    2.123300      -2.752200       1.226000    
 C   0.9302000      -3.242400      0.4248000    
 C    1.029200      -2.817500      -1.019700    
 H   0.3944000      0.3391000      0.2621000    
 H   0.1753000       1.179800      -1.261900    
 H    1.251800       2.485200       1.306300    
 H    1.011700       3.292900     -0.2260000    
 H   -1.242900       1.893300       1.360600    
 H   -1.482400       2.717400     -0.1825000    
 H   -2.031000     -0.2620000      0.3205000    
 H   -2.292600      0.5854000      -1.205300    
 H    5.468200       1.582500      0.2898000    
 H    5.029500     -3.2600001E-02 -0.3321000    
 H   -3.687700       1.206800       1.452900    
 H   -3.908800       2.129400     -3.0400001E-02
 H    4.305400      0.8581000      -2.360100    
 H    5.097500       2.369700      -1.870400    
 H   -4.585600     -0.8230000      0.3427000    
 H   -4.737000      5.3399999E-02  -1.171900    
 H    2.352100       1.063600       2.276900    
 H    4.101700       1.095600       2.438100    
 H   -6.413400       1.582600     -0.1080000    
 H   -6.292200      0.6542000       1.383000    
 H    3.179600      -1.126200       2.965500    
 H    4.207600      -1.240600       1.521400    
 H   -7.219600     -0.4577000      -1.319600    
 H   -7.105500      -1.387800      0.1762000    
 H   -8.901800       1.060600     -0.2546000    
 H   -9.429900     -0.6304000     -0.2180000    
 H   -8.787700      0.1262000       1.250100    
 H    2.021500      -3.080800       2.266700    
 H    3.053500      -3.165400      0.8184000    
 H   0.8516000      -4.332900      0.4627000    
 H   1.6899999E-02  -2.804400      0.8444000    
 H  -0.1090000      -2.321200      -2.521000    


%chk=000113226-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000113226

0 1
O 2.027586 -1.272760 1.322878
O 1.755887 -1.051420 -2.140391
O 3.715232 -2.014917 -1.343133
N 3.485934 1.175736 0.597989
N 2.935400 1.112870 -1.633850
C -0.045675 0.778468 -0.143513
C 1.106743 1.817249 -0.075316
C -1.417514 1.449718 0.085514
C 2.506404 1.327642 -0.383795
C -2.590271 0.445082 0.027294
C 4.759571 0.744758 -0.060660
C -3.972141 1.105271 0.233169
C 4.428072 0.933919 -1.572343
C -5.146124 0.101844 0.176550
C 3.196590 0.764305 1.980175
C -6.528498 0.764010 0.373119
C 3.111110 -0.773302 2.166380
C -7.703034 -0.239622 0.319509
C -9.080321 0.431265 0.512270
C 2.105449 -2.703284 0.949714
C 1.580009 -2.838712 -0.493266
C 2.449529 -1.950696 -1.390471
H 0.131500 -0.009121 0.610725
H -0.027628 0.279127 -1.128973
H 1.101402 2.298412 0.921228
H 0.895897 2.615274 -0.812300
H -1.426227 1.963907 1.070727
H -1.576716 2.239324 -0.679391
H -2.439594 -0.339475 0.798133
H -2.574629 -0.075409 -0.952749
H 5.601148 1.372811 0.279289
H 4.975811 -0.315980 0.163441
H -3.986346 1.630344 1.211594
H -4.122142 1.887456 -0.540431
H 4.732807 0.060186 -2.167454
H 4.901005 1.845334 -1.982679
H -4.999779 -0.678098 0.953268
H -5.128644 -0.426361 -0.799848
H 2.239095 1.213798 2.293533
H 3.982512 1.151907 2.656888
H -6.677082 1.541614 -0.405429
H -6.546650 1.294967 1.348259
H 2.917234 -0.990757 3.239677
H 4.069154 -1.257257 1.881855
H -7.682580 -0.771703 -0.653660
H -7.555205 -1.014758 1.099352
H -9.266087 1.187078 -0.274222
H -9.901669 -0.307852 0.471248
H -9.137145 0.945776 1.490301
H 1.497567 -3.301305 1.657636
H 3.160017 -3.042914 0.984212
H 1.667017 -3.897828 -0.802000
H 0.525162 -2.532194 -0.568743
H 2.262360 -0.062929 -2.195014


