%chk=000039274.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000039274

0 1
 O   -1.948800       1.126900       1.336000    
 O   5.5999998E-03 -0.8729000       2.251700    
 N    1.184200      0.2788000      0.5621000    
 N    4.494700      -1.408200      0.5326000    
 C   -1.185400      0.3218000      0.4593000    
 C  -0.5569000       1.114400     -0.6560000    
 C   0.8340000       1.052200     -0.5529000    
 C   4.7100000E-02 -0.1932000       1.235700    
 C    2.542400      2.7000001E-03  0.9665000    
 C   -2.023000     -0.8156000     -1.4300000E-02
 C   -1.159500       1.838100      -1.671800    
 C    3.116500      -1.141100      0.1360000    
 C    1.662000       1.694800      -1.456900    
 C   -1.452500      -1.831300     -0.7830000    
 C   -3.379600     -0.8677000      0.3104000    
 C  -0.3386000       2.492800      -2.593400    
 C   -1.199700       2.235000       1.824100    
 C    1.060500       2.420600      -2.487300    
 C   -2.236500      -2.896300      -1.226200    
 C   -4.163500      -1.932900     -0.1329000    
 C   -2.078500       3.058900       2.740800    
 C   -3.591900      -2.947200     -0.9013000    
 C    5.047600      -2.519500     -0.2433000    
 C    5.319900     -0.2110000      0.3642000    
 H    3.095100      0.9418000      0.8760000    
 H    2.540000     -0.2753000       2.027600    
 H   -2.239100       1.897900      -1.756300    
 H    2.503200      -2.036900      0.3006000    
 H    3.053300     -0.9115000     -0.9356000    
 H    2.742700       1.650700      -1.384400    
 H  -0.3995000      -1.816600      -1.050800    
 H   -3.868900     -9.8099999E-02  0.9001000    
 H  -0.7859000       3.065500      -3.401500    
 H  -0.3301000       1.913000       2.405700    
 H  -0.8731000       2.898600       1.017800    
 H    1.680200       2.938000      -3.214800    
 H   -1.791800      -3.686200      -1.824600    
 H   -5.219400      -1.972400      0.1185000    
 H   -1.534300       3.921400       3.136000    
 H   -2.965300       3.415800       2.206500    
 H   -2.435500       2.452500       3.579700    
 H   -4.202500      -3.776200      -1.246700    
 H    6.060800      -2.760900      9.6699998E-02
 H    5.086500      -2.296300      -1.315700    
 H    4.446800      -3.424700     -0.1007000    
 H    5.206100      0.2423000     -0.6274000    
 H    6.380900     -0.4585000      0.4937000    
 H    5.114900      0.5391000       1.133900    


%chk=000039274-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000039274

0 1
O -2.088572 1.251505 1.216477
O 0.062180 -0.722380 2.237462
N 1.224822 0.392717 0.506124
N 4.574123 -1.402162 0.562897
C -1.183771 0.467200 0.357836
C -0.522073 1.282670 -0.745696
C 0.889103 1.189357 -0.624040
C 0.072311 -0.050279 1.177052
C 2.586455 0.065553 0.948485
C -1.996986 -0.740941 -0.118761
C -1.093320 2.052752 -1.767231
C 3.171036 -1.144666 0.175398
C 1.754233 1.841258 -1.522513
C -1.859835 -1.268634 -1.425807
C -2.863650 -1.381009 0.802892
C -0.239085 2.728181 -2.679090
C -1.447344 2.364373 1.952378
C 1.166036 2.615546 -2.555255
C -2.590080 -2.415908 -1.811333
C -3.596004 -2.522276 0.413449
C -2.556738 3.061856 2.737878
C -3.461953 -3.045208 -0.894573
C 4.967977 -2.817633 0.406811
C 5.534941 -0.486147 -0.083565
H 3.226397 0.959118 0.831281
H 2.540595 -0.186379 2.020971
H -2.182509 2.129000 -1.852973
H 2.565081 -2.032490 0.430068
H 3.059269 -0.976915 -0.926291
H 2.842624 1.762434 -1.437062
H -1.191446 -0.784060 -2.145603
H -2.957495 -0.970564 1.811438
H -0.667870 3.335481 -3.482938
H -0.673127 1.957981 2.635689
H -0.964064 3.061057 1.236242
H 1.815394 3.135243 -3.268856
H -2.479861 -2.814102 -2.826432
H -4.268023 -3.006475 1.130938
H -2.140508 3.904292 3.320156
H -3.329902 3.454902 2.055253
H -3.037109 2.356322 3.437310
H -4.029574 -3.933478 -1.194731
H 5.986246 -2.963645 0.810395
H 4.966574 -3.167614 -0.656419
H 4.279502 -3.460867 0.981902
H 5.575501 -0.607611 -1.196744
H 6.547528 -0.669407 0.317486
H 5.278170 0.565151 0.136047


