%chk=000054700.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000054700

0 1
 O    1.788200      0.2501000       2.103600    
 O  -0.9066000       5.564100       1.335800    
 O   -2.401600       4.836800     -0.2099000    
 N   -1.066900      -1.462000      0.3824000    
 N   0.2915000      0.5283000      0.3263000    
 N   0.7832000      -2.303000       1.504500    
 N   3.9000001E-02  -3.465600     -0.2968000    
 C   -2.372700      -1.756800     -0.1670000    
 C   -2.600800     -0.9085000      -1.420000    
 C   -3.448500      -1.492200      0.8891000    
 C   -4.004900      -1.110200      -1.984700    
 C   -4.851400      -1.694900      0.3217000    
 C   -5.078000     -0.8523000     -0.9305000    
 C  -0.8599000     -0.1290000      0.9534000    
 C  -0.1137000      -2.424100      0.4856000    
 C   3.0700000E-02   1.265200     -0.9112000    
 C    1.720600      -3.384100       1.479500    
 C    1.224700      -4.180400      0.2658000    
 C    1.559800      0.3725000      0.9007000    
 C  -0.9271000       2.439000     -0.7120000    
 C  -0.4103000       3.510600      0.2515000    
 C    2.728700      0.3265000      8.8999998E-03
 C    2.587800     -0.1800000      -1.274200    
 C    3.951800      0.7924000      0.4665000    
 C   -1.353400       4.684000      0.4016000    
 C    3.696400     -0.2215000      -2.119700    
 C    5.060500      0.7509000     -0.3790000    
 C    4.932800      0.2439000      -1.672100    
 H   -2.442000      -2.814000     -0.4558000    
 H   -2.500800      0.1558000      -1.206200    
 H   -1.859100      -1.159200      -2.187500    
 H   -3.302100      -2.166600       1.742300    
 H   -3.410000     -0.4774000       1.296500    
 H   -4.102400      -2.136000      -2.361000    
 H   -4.159200     -0.4413000      -2.839100    
 H   -5.598600      -1.437200       1.080800    
 H   -4.996700      -2.754900      7.9099998E-02
 H   -6.066400      -1.072300      -1.349000    
 H   -5.074600      0.2107000     -0.6596000    
 H   -1.723100      0.5272000      0.8593000    
 H  -0.6913000     -0.2102000       2.033500    
 H   0.6904000      -1.701700       2.313100    
 H  -0.3447000      0.5745000      -1.668700    
 H   0.9561000       1.701200      -1.297600    
 H    1.673300      -3.978300       2.396600    
 H    2.742800      -3.023200       1.333200    
 H    2.003900      -4.251800     -0.5005000    
 H   0.9341000      -5.195900      0.5551000    
 H   -1.086100       2.906800      -1.693100    
 H   -1.921600       2.117500     -0.3905000    
 H  -0.2680000       3.073700       1.246000    
 H   0.5510000       3.896000     -0.1062000    
 H    1.661300     -0.6115000      -1.638500    
 H    4.070200       1.197400       1.467700    
 H    3.600800     -0.6302000      -3.121500    
 H    6.023100       1.114100     -3.0999999E-02
 H    5.796700      0.2086000      -2.329400    
 H   -1.519200       6.322200       1.445900    


%chk=000054700-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000054700

0 1
O 1.968860 -0.282129 1.716004
O 0.179357 5.574328 1.227829
O -1.895208 4.812187 0.517114
N -1.109287 -1.630140 0.277931
N 0.435333 0.335887 0.068630
N 0.664408 -2.797579 1.485783
N -0.885367 -4.022843 0.283044
C -2.489215 -1.797493 -0.279292
C -2.805892 -0.867831 -1.470792
C -3.569508 -1.675049 0.829068
C -4.218691 -1.166558 -2.034245
C -4.981464 -1.963786 0.263545
C -5.304036 -1.045189 -0.938092
C -0.673952 -0.347788 0.823730
C -0.460166 -2.820812 0.656882
C 0.054344 1.175917 -1.095255
C 1.193562 -4.172560 1.603498
C 0.040895 -5.008174 0.924901
C 1.725813 0.264862 0.580359
C -0.711299 2.463979 -0.704612
C 0.120016 3.406041 0.186146
C 2.883028 0.805486 -0.222680
C 3.147301 0.355796 -1.542713
C 3.803101 1.675458 0.414430
C -0.663570 4.625627 0.629269
C 4.307276 0.789193 -2.221584
C 4.950590 2.124534 -0.273871
C 5.205158 1.683985 -1.594189
H -2.498769 -2.842419 -0.642738
H -2.773812 0.197718 -1.156825
H -2.043762 -1.011129 -2.261262
H -3.327127 -2.383750 1.642908
H -3.556672 -0.651442 1.261919
H -4.232595 -2.196005 -2.446846
H -4.440079 -0.479982 -2.874351
H -5.741122 -1.839134 1.059300
H -5.029072 -3.022826 -0.062684
H -6.297504 -1.296352 -1.357216
H -5.358740 0.008108 -0.591543
H -1.538724 0.334396 0.823862
H -0.311893 -0.451954 1.861366
H 1.209961 -1.960046 1.735980
H -0.565454 0.568624 -1.776498
H 0.967188 1.454484 -1.642542
H 1.355775 -4.455099 2.659879
H 2.157741 -4.279945 1.065413
H 0.434414 -5.712820 0.169611
H -0.514044 -5.603470 1.676799
H -0.989553 2.984941 -1.640574
H -1.666787 2.228937 -0.200532
H 0.459689 2.881707 1.101825
H 1.041246 3.745110 -0.323364
H 2.466180 -0.356055 -2.023915
H 3.619971 1.979589 1.450493
H 4.512280 0.424498 -3.233969
H 5.650368 2.805966 0.221915
H 6.101491 2.024660 -2.124073
H -0.364284 6.352042 1.530521


