%chk=000011226.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000011226

0 1
 O    3.484000       1.524400      0.7941000    
 O    2.516400       2.170900      -1.201600    
 O   -4.321400     -0.3410000      -2.564300    
 N  -0.9608000      0.7826000     -0.1891000    
 C    1.930000      5.1600002E-02 -0.1831000    
 C    1.041900      0.1025000       1.086500    
 C   0.9995000     -0.1177000      -1.411400    
 C  -0.1246000       1.091100      0.9746000    
 C  -0.1791000      0.8635000      -1.426000    
 C    2.994800      -1.057900     -0.1601000    
 C   -2.110200       1.685300     -0.2486000    
 C    2.661200       1.375700     -0.2829000    
 C   -2.993200       1.336900      -1.447200    
 C    3.871700      -1.198100      -1.232600    
 C    3.077100      -1.916200      0.9331000    
 C   -3.553200     -9.3500003E-02  -1.385000    
 C    4.837700      -2.204200      -1.211800    
 C    4.043200      -2.922200      0.9539000    
 C   -4.438500     -0.3549000     -0.1887000    
 C    4.923500      -3.066100     -0.1187000    
 C    4.240200       2.739000      0.8271000    
 C   -3.870800     -0.8217000      0.9856000    
 C   -5.800400     -0.1223000     -0.2892000    
 C    5.097300       2.752300       2.074900    
 C   -4.687800      -1.062900       2.090000    
 C   -6.617400     -0.3634000      0.8154000    
 C   -6.061000     -0.8337000       2.005000    
 H    1.622700      0.3528000       1.983400    
 H   0.5943000     -0.8852000       1.266500    
 H   0.6011000      -1.142700      -1.422100    
 H    1.553000      6.9999998E-04  -2.351900    
 H  -0.7237000       1.008400       1.890100    
 H   0.2542000       2.120400      0.9315000    
 H   0.1555000       1.889200      -1.616900    
 H  -0.7670000      0.5580000      -2.296200    
 H   -2.690500       1.641600      0.6794000    
 H   -1.779500       2.727800     -0.3503000    
 H   -3.840900       2.037900      -1.445400    
 H   -2.514800       1.528900      -2.413500    
 H    3.827600     -0.5344000      -2.091400    
 H    2.428400      -1.845000       1.798200    
 H   -2.736400     -0.8244000      -1.406600    
 H    5.524300      -2.315300      -2.045900    
 H    4.112600      -3.592100       1.806000    
 H    5.676400      -3.848600     -0.1019000    
 H    3.555800       3.594500      0.8386000    
 H    4.878700       2.795300     -6.1600000E-02
 H   -4.601000      -1.272700      -2.548700    
 H   -2.806300      -1.019000       1.063300    
 H   -6.257200      0.2591000      -1.197500    
 H    4.473200       2.677700       2.971500    
 H    5.690600       3.669100       2.132400    
 H    5.773900       1.891500       2.086400    
 H   -4.255100      -1.431900       3.015300    
 H   -7.686100     -0.1815000      0.7508000    
 H   -6.697100      -1.021200       2.865100    


%chk=000011226-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000011226

0 1
O 3.194795 1.700775 0.922853
O 3.134266 1.834475 -1.393196
O -4.476643 -0.198444 -2.613411
N -0.888844 0.795493 -0.374916
C 1.977984 -0.059198 -0.251495
C 1.030267 -0.055263 0.977592
C 1.097404 -0.192180 -1.533093
C -0.073965 1.009127 0.847539
C -0.033335 0.854120 -1.587793
C 3.029117 -1.201538 -0.208565
C -2.036275 1.740456 -0.428096
C 2.797459 1.251658 -0.334516
C -3.073104 1.398326 -1.516362
C 3.952125 -1.339251 -1.280567
C 3.100233 -2.125272 0.863756
C -3.615160 -0.042816 -1.418472
C 4.909237 -2.375693 -1.284403
C 4.056713 -3.166645 0.859817
C -4.390266 -0.310880 -0.130731
C 4.964323 -3.298928 -0.214081
C 4.091172 2.899095 0.940155
C -3.763910 -0.962184 0.961573
C -5.742795 0.099776 -0.005387
C 4.407375 3.190100 2.403217
C -4.473906 -1.196514 2.161245
C -6.453675 -0.136061 1.192390
C -5.821752 -0.784639 2.280029
H 1.599666 0.119978 1.906559
H 0.544440 -1.047611 1.041939
H 0.657997 -1.207244 -1.533322
H 1.722936 -0.087529 -2.436039
H -0.744785 0.949271 1.725322
H 0.388084 2.031723 0.859249
H 0.408585 1.874407 -1.720718
H -0.656552 0.652186 -2.476703
H -2.530577 1.709743 0.561561
H -1.688632 2.794143 -0.586942
H -3.921277 2.103991 -1.431465
H -2.651132 1.529937 -2.529736
H 3.930966 -0.621345 -2.108860
H 2.414532 -2.039878 1.711319
H -2.757864 -0.744705 -1.472932
H 5.612486 -2.461672 -2.120491
H 4.092477 -3.872098 1.697968
H 5.705873 -4.105627 -0.216281
H 3.563915 3.733470 0.443128
H 4.993408 2.661416 0.348074
H -4.892330 -1.097927 -2.583818
H -2.716372 -1.273945 0.864972
H -6.227729 0.595384 -0.854105
H 3.486218 3.404689 2.971789
H 5.072337 4.070238 2.474147
H 4.915852 2.331547 2.873955
H -3.980200 -1.703440 2.998408
H -7.499221 0.182032 1.278752
H -6.375147 -0.970124 3.207688


