%chk=000022894.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000022894

0 1
 O    2.464800      -2.927800      0.5953000    
 O   0.3034000      -3.414800       1.027200    
 N   -3.383800      9.9500000E-02  0.2176000    
 C   0.7903000      -1.376600     -0.2745000    
 C    1.340100      -1.526300      -1.756300    
 C  -0.7858000      -1.313000     -0.2749000    
 C    1.413000     -0.1278000      0.4030000    
 C   -1.450300      -1.172400       1.108900    
 C    1.131800      -2.663600      0.5254000    
 C    2.873700      -1.614300      -1.865000    
 C   0.7435000      -2.706000      -2.541300    
 C   -2.974800      -1.044000       1.024000    
 C    1.229800       1.120700     -0.1478000    
 C    2.128100     -0.3766000       1.546500    
 C    1.823400       2.219200      0.5183000    
 C    2.711500      0.7039000       2.201700    
 C   0.4920000       1.346100      -1.321300    
 C   -4.842600      0.1584000      0.1084000    
 C   -2.867100       1.344600      0.7888000    
 C    2.561000       1.993900       1.692100    
 C    1.661700       3.510900     -8.7000001E-03
 C   0.3419000       2.636100      -1.830800    
 C   -5.401200      -1.124900     -0.4826000    
 C   -3.230000       2.538400     -7.8199998E-02
 C   0.9256000       3.716500      -1.176000    
 H    1.101600     -0.6782000      -2.387200    
 H   -1.174300      -2.249500     -0.6989000    
 H   -1.179600     -0.5466000     -0.9362000    
 H   -1.016900     -0.3397000       1.670500    
 H   -1.265300      -2.045700       1.738500    
 H    3.257300      -2.604900      -1.605400    
 H    3.179900      -1.435600      -2.903500    
 H    3.384400     -0.8628000      -1.257600    
 H   0.9028000      -3.657800      -2.025000    
 H    1.205600      -2.787500      -3.531900    
 H  -0.3301000      -2.575300      -2.705400    
 H   -3.387400     -0.9824000       2.039800    
 H   -3.324300      -1.986900      0.5906000    
 H    2.229200      -1.315900       2.068600    
 H    3.268300      0.5479000       3.121300    
 H  -6.0600001E-02  0.6189000      -1.888300    
 H   -5.145100      0.9560000     -0.5778000    
 H   -5.318900      0.3549000       1.077200    
 H   -1.775400       1.342000      0.8263000    
 H   -3.229000       1.506400       1.812000    
 H    3.022100       2.824100       2.223100    
 H    2.647000      -3.756500       1.087500    
 H    2.108200       4.370200      0.4873000    
 H  -0.2436000       2.801400      -2.730900    
 H   -6.442800     -0.9648000     -0.7838000    
 H   -5.412300      -1.948700      0.2378000    
 H   -4.849800      -1.436600      -1.376400    
 H   -3.005500       2.356300      -1.134700    
 H   -4.282500       2.822000      1.8700000E-02
 H   -2.642900       3.409800      0.2336000    
 H   0.8049000       4.720900      -1.571100    


%chk=000022894-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000022894

0 1
O 2.539172 -3.029582 0.449071
O 0.401690 -3.628094 1.046868
N -3.386679 0.241671 0.493742
C 0.713009 -1.510187 -0.247217
C 1.066865 -1.803309 -1.788902
C -0.847982 -1.400367 -0.099180
C 1.385220 -0.234890 0.346240
C -1.385237 -1.084399 1.312524
C 1.152819 -2.786770 0.504176
C 2.514451 -1.446248 -2.193547
C 0.742338 -3.262325 -2.210037
C -2.922567 -0.921186 1.302742
C 1.219049 1.093746 -0.232434
C 2.100507 -0.333943 1.550835
C 1.828964 2.237583 0.434993
C 2.687038 0.789705 2.203930
C 0.480615 1.376617 -1.435048
C -4.755549 0.045409 -0.056274
C -3.246064 1.525092 1.236964
C 2.561825 2.059499 1.651765
C 1.694672 3.554257 -0.120389
C 0.363040 2.668571 -1.951604
C -4.783309 -0.906195 -1.267979
C -3.155983 2.757286 0.316879
C 0.978089 3.776693 -1.294535
H 0.379012 -1.163779 -2.372659
H -1.293762 -2.356271 -0.433660
H -1.222619 -0.613021 -0.775952
H -0.914041 -0.162756 1.703363
H -1.127656 -1.903815 2.009358
H 3.241757 -2.031902 -1.606981
H 2.665799 -1.677028 -3.265037
H 2.734653 -0.375835 -2.044513
H 1.473630 -3.978423 -1.793078
H 0.795521 -3.342718 -3.311129
H -0.268492 -3.580777 -1.899592
H -3.293283 -0.850117 2.356501
H -3.368368 -1.839352 0.876037
H 2.238230 -1.309571 2.021739
H 3.237100 0.638290 3.138922
H -0.013816 0.568566 -1.972440
H -5.136465 1.031685 -0.378454
H -5.462089 -0.323594 0.731275
H -2.315725 1.467495 1.830930
H -4.081502 1.658449 1.972573
H 3.011927 2.934451 2.135380
H 2.715102 -3.905326 0.892177
H 2.171811 4.389715 0.406304
H -0.210832 2.832139 -2.870515
H -5.812311 -1.002192 -1.662792
H -4.429942 -1.919597 -1.004510
H -4.130302 -0.516113 -2.068533
H -2.286879 2.664610 -0.357182
H -4.062573 2.880283 -0.303331
H -3.036826 3.677359 0.919641
H 0.881952 4.786014 -1.708927


