%chk=000040801.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000040801

0 1
 O   0.3786000       2.496500       1.701400    
 O    3.106900      -2.146300     -0.6855000    
 O    5.403700     -0.5929000     -0.4986000    
 N   -3.856900      -1.851700       1.191100    
 N  -0.6787000       1.011400      0.2685000    
 C   -3.079800      0.3590000      0.3808000    
 C   -3.261100     -9.7099997E-02  -1.080500    
 C   -2.025500       1.479400      0.5063000    
 C   -3.612600       1.089600      -1.984200    
 C   -4.332500      -1.190600      -1.148400    
 C   -2.785000     -0.8482000       1.290300    
 C   -2.358700       2.647700     -0.4304000    
 C   -2.571000       2.201400      -1.877400    
 C   -4.009800      -2.337100     -0.1872000    
 C   -3.598900      -2.967700       2.100900    
 C   0.4231000       1.569600      0.8967000    
 C    1.741100      0.9937000      0.5250000    
 C    1.798300     -0.3147000      9.1399997E-02
 C    2.866400       1.785200      0.6270000    
 C    3.036200     -0.8557000     -0.2559000    
 C    4.104200       1.244300      0.2797000    
 C    4.189200     -7.6099999E-02 -0.1619000    
 C    2.974900      -2.371100      -2.087800    
 C    6.147600      -1.228900      0.5388000    
 H   -4.036400      0.7909000      0.7148000    
 H   -2.320000     -0.5333000      -1.442500    
 H   -2.057800       1.860900       1.535200    
 H   -4.597100       1.490100      -1.711100    
 H   -3.683400      0.7579000      -3.026800    
 H   -4.403000      -1.582100      -2.170200    
 H   -5.316100     -0.7712000     -0.8997000    
 H   -1.817600      -1.298600       1.032300    
 H   -2.713600     -0.4927000       2.325900    
 H   -1.568600       3.407400     -0.3983000    
 H   -3.276800       3.134500     -7.6899998E-02
 H   -1.620400       1.853000      -2.299300    
 H   -2.888800       3.059100      -2.481200    
 H   -4.831100      -3.062400     -0.2355000    
 H   -3.100100      -2.852700     -0.5227000    
 H  -0.5510000      0.3330000     -0.4741000    
 H   -2.667800      -3.492700       1.858800    
 H   -4.421700      -3.690500       2.066400    
 H   -3.536400      -2.613800       3.136000    
 H   0.9259000     -0.9588000      4.0199999E-02
 H    2.816700       2.816300      0.9640000    
 H    4.998200       1.857900      0.3537000    
 H    3.770800      -1.858200      -2.637000    
 H    1.995700      -2.031400      -2.439700    
 H    3.059500      -3.445600      -2.271900    
 H    7.086000      -1.594300      0.1128000    
 H    5.592700      -2.080600      0.9447000    
 H    6.379300     -0.5162000       1.336600    


%chk=000040801-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000040801

0 1
O 0.243667 2.620755 1.584020
O 3.203221 -2.039244 -1.051700
O 5.586430 -0.527337 -0.250085
N -3.883473 -1.773419 1.357861
N -0.763943 1.083784 0.163123
C -3.166348 0.409102 0.386271
C -3.374681 -0.141447 -1.052374
C -2.136167 1.570397 0.431759
C -3.761012 0.997064 -2.027078
C -4.426209 -1.274743 -1.020125
C -2.828810 -0.731495 1.369184
C -2.539579 2.695285 -0.561559
C -2.737051 2.157112 -1.997960
C -4.052781 -2.360782 0.007390
C -3.654731 -2.803527 2.389124
C 0.344653 1.636349 0.779972
C 1.683575 1.018814 0.457284
C 1.837895 -0.243086 -0.172052
C 2.843308 1.749099 0.821838
C 3.119267 -0.767549 -0.433913
C 4.126089 1.221482 0.581829
C 4.278916 -0.044180 -0.026786
C 3.864226 -2.033197 -2.378848
C 5.910159 -1.798918 0.442177
H -4.137382 0.839704 0.709294
H -2.415428 -0.591595 -1.404413
H -2.100986 1.999267 1.450756
H -4.760619 1.385405 -1.738935
H -3.859786 0.594610 -3.054960
H -4.527047 -1.731433 -2.024570
H -5.411155 -0.847992 -0.745807
H -1.825835 -1.166814 1.110474
H -2.746819 -0.325218 2.395547
H -1.769923 3.487792 -0.535001
H -3.487061 3.147679 -0.204272
H -1.763576 1.805261 -2.398045
H -3.070302 2.976095 -2.663544
H -4.849465 -3.126740 0.058946
H -3.114377 -2.881317 -0.329635
H -0.639695 0.360705 -0.545110
H -2.708514 -3.382910 2.234039
H -4.496489 -3.519262 2.393494
H -3.603232 -2.328589 3.385135
H 0.985485 -0.869977 -0.457816
H 2.706824 2.716731 1.314128
H 5.030315 1.765412 0.872587
H 4.890116 -1.629088 -2.309531
H 3.272891 -1.430365 -3.093924
H 3.883612 -3.085431 -2.700682
H 6.930293 -2.054634 0.118542
H 5.199436 -2.596350 0.161158
H 5.888898 -1.645665 1.537392


