%chk=000145955.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000145955

0 1
 O   -3.307000      -2.053400     -0.5416000    
 O    1.529000      -3.017300     -0.6906000    
 N   -1.686100     -0.4905000      0.1138000    
 N    7.175600      0.7838000     -0.5716000    
 N    2.769000      -1.859200      0.9080000    
 N   -2.350400       1.735600      0.6631000    
 N    8.470400       2.371200      0.2445000    
 C   -7.792700      0.4413000     -0.4182000    
 C    5.529600     -0.9078000      0.1846000    
 C    4.986300      -2.314900     -7.7900000E-02
 C   -6.364600      0.7687000     -0.1383000    
 C   -4.044200      0.1031000     -2.4000000E-02
 C    6.634200     -0.5502000     -0.8093000    
 C    3.922200      -2.730200      0.9325000    
 C   -3.679300       1.386900      0.3897000    
 C   -5.382700     -0.2096000     -0.2886000    
 C   -2.990200     -0.9233000     -0.1786000    
 C   -1.432300      0.8278000      0.5234000    
 C   -6.012200       2.051800      0.2737000    
 C   -4.676300       2.358500      0.5363000    
 C   0.6289000      -1.062300      0.2511000    
 C   -8.340800     -0.6508000      0.5197000    
 C   -8.027100      3.5700001E-02  -1.885600    
 C  -0.6396000      -1.402100     -1.0800000E-02
 C    1.669500      -2.079900      9.5600002E-02
 C  -1.3400000E-02   1.190100      0.8125000    
 C   0.9489000      0.2723000      0.6751000    
 C    6.717700       1.934700      -1.124700    
 C    8.221900       1.080400      0.2405000    
 C    7.535800       2.909700     -0.6041000    
 H   -8.403200       1.337600     -0.2421000    
 H    4.721700     -0.1696000      0.1114000    
 H    5.919100     -0.8479000       1.208600    
 H    4.568800      -2.358200      -1.091500    
 H    5.809800      -3.037900     -3.7799999E-02
 H    6.259800     -0.5706000      -1.839400    
 H    7.470000      -1.256200     -0.7419000    
 H    4.328200      -2.706000       1.949400    
 H    3.596800      -3.755300      0.7241000    
 H   -5.656200      -1.211000     -0.6099000    
 H   -6.764500       2.826500      0.3962000    
 H   -4.416400       3.364600      0.8572000    
 H   -8.200400     -0.3687000       1.569100    
 H   -9.413200     -0.7977000      0.3517000    
 H   -7.844000      -1.614100      0.3619000    
 H   -7.517700     -0.9003000      -2.138600    
 H   -9.096200     -0.1043000      -2.078800    
 H   -7.661100      0.8117000      -2.566900    
 H  -0.9098000      -2.404100     -0.3275000    
 H    2.775700      -1.103400       1.583700    
 H   0.2097000       2.207700       1.111700    
 H    1.974700      0.5796000      0.8421000    
 H    5.884000       1.971800      -1.812000    
 H    8.764600      0.3329000      0.8029000    
 H    7.499300       3.971900     -0.7972000    


%chk=000145955-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000145955

0 1
O -3.034911 -1.910803 -0.668858
O 1.630603 -2.836882 -0.188237
N -1.687938 -0.335027 0.464324
N 7.213763 0.605794 -1.086207
N 2.906955 -1.685908 1.370773
N -2.598671 1.778755 1.280850
N 8.795437 2.180608 -0.657394
C -7.840491 0.368734 -0.762061
C 5.648892 -0.963660 0.106246
C 4.948061 -2.336109 0.032694
C -6.445306 0.711512 -0.234845
C -4.069154 0.157172 0.094838
C 6.541781 -0.705377 -1.129154
C 4.036399 -2.627880 1.248854
C -3.843041 1.405603 0.774316
C -5.360931 -0.169495 -0.397548
C -2.971900 -0.788932 -0.094292
C -1.573834 0.936649 1.127650
C -6.209502 1.950801 0.441173
C -4.944635 2.295193 0.934743
C 0.654586 -0.855663 0.828341
C -8.405587 -0.912248 -0.091605
C -7.845590 0.229993 -2.308411
C -0.594498 -1.182839 0.327419
C 1.753605 -1.862507 0.620882
C -0.263090 1.275153 1.628879
C 0.814866 0.420762 1.492635
C 6.639469 1.847650 -1.393763
C 8.510706 0.862390 -0.642436
C 7.625912 2.801547 -1.127745
H -8.513103 1.209980 -0.498707
H 4.890409 -0.159832 0.175057
H 6.272331 -0.899784 1.020589
H 4.333648 -2.408792 -0.884710
H 5.705393 -3.144408 -0.024447
H 5.935037 -0.766597 -2.051721
H 7.323249 -1.484671 -1.200224
H 4.619347 -2.584901 2.187518
H 3.615918 -3.643955 1.143878
H -5.479004 -1.132215 -0.907019
H -7.047196 2.646546 0.573470
H -4.765400 3.242416 1.451880
H -8.437759 -0.809430 1.007995
H -9.431015 -1.115877 -0.451397
H -7.782260 -1.793386 -0.331198
H -7.202419 -0.608660 -2.633058
H -8.869804 0.032418 -2.675159
H -7.474363 1.149534 -2.795597
H -0.783685 -2.120607 -0.201950
H 2.956425 -0.946397 2.070672
H -0.181749 2.250324 2.113986
H 1.792681 0.742856 1.867121
H 5.625114 1.936895 -1.774980
H 9.193061 0.071814 -0.337131
H 7.572790 3.880846 -1.250328


