%chk=000014734.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000014734

0 1
 O    6.005900       1.363000     -0.8502000    
 O    1.334800      -5.343200     -0.2172000    
 N    3.411100       1.667700      0.2795000    
 N  -1.8600000E-02  -2.842000     -9.8200001E-02
 N  -0.6494000       2.037800       3.071300    
 C  -0.3858000      0.9479000      0.6694000    
 C   0.9719000       1.461800      7.6800004E-02
 C  -0.2498000     -0.6001000      0.8788000    
 C    2.210900       1.144400      0.9287000    
 C  -0.1460000      -1.421300     -0.4160000    
 C   -1.543700       1.258300     -0.2964000    
 C    4.595800       1.452500       1.121900    
 C    3.608100       1.042000      -1.035500    
 C    1.199600      -3.094500      0.6841000    
 C  -6.5000001E-03  -3.651900      -1.324300    
 C   -2.837500      0.8812000      1.3400000E-02
 C  -0.5426000       1.564600       2.016500    
 C   -1.197000       1.919000      -1.453200    
 C    5.836500       1.995900      0.4188000    
 C    4.872500       1.593900      -1.687800    
 C    1.317800      -4.584400      0.9926000    
 C   0.1392000      -5.128500     -0.9678000    
 C   -3.857200       1.195900     -0.9162000    
 C   -2.199800       2.228800      -2.367000    
 C   -3.173100      0.2071000       1.198900    
 C   -3.521800       1.870100      -2.101700    
 C   -5.182400      0.8274000     -0.6329000    
 C   -4.495000     -0.1516000       1.463900    
 C   -5.497900      0.1578000      0.5497000    
 H   0.9430000       2.555400     -4.0500000E-02
 H    1.098800       1.002100     -0.9037000    
 H   -1.052500      -1.044100       1.468400    
 H   0.6076000     -0.7593000       1.533500    
 H    2.338800      6.8899997E-02   1.079700    
 H    2.108400       1.609700       1.915300    
 H   0.7049000      -1.093900      -1.022900    
 H   -1.052200      -1.279300      -1.014500    
 H    4.731300      0.3817000       1.322900    
 H    4.479000       1.966700       2.082700    
 H    2.805200       1.270100      -1.739800    
 H    3.689600     -4.8200000E-02 -0.9371000    
 H    1.189700      -2.600400       1.657800    
 H    2.088100      -2.761000      0.1323000    
 H   0.8268000      -3.349500      -1.972000    
 H  -0.9391000      -3.512200      -1.882700    
 H  -0.2140000       2.254800      -1.749900    
 H    5.780700       3.082700      0.2815000    
 H    6.727600       1.783300       1.018100    
 H    5.054700       1.084600      -2.639700    
 H    4.785400       2.667100      -1.897500    
 H    2.255500      -4.783100       1.521600    
 H   0.4967000      -4.932800       1.631300    
 H  -0.7227000      -5.493800     -0.3962000    
 H   0.2081000      -5.727300      -1.881600    
 H   -1.956400       2.752900      -3.287000    
 H   -2.497900      9.3000000E-03   2.016800    
 H   -4.289500       2.123000      -2.830000    
 H   -5.982600       1.060300      -1.332500    
 H   -4.746500     -0.6528000       2.394200    
 H   -6.527600     -0.1170000      0.7592000    


%chk=000014734-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000014734

0 1
O 6.322661 2.089921 -0.577545
O 0.709478 -5.837515 -0.379937
N 3.538328 1.794903 0.216631
N 0.018605 -3.011763 -0.243104
N -0.409472 2.051488 2.928247
C -0.245436 0.811436 0.556075
C 1.092470 1.360770 -0.064379
C -0.140320 -0.745916 0.812095
C 2.348769 1.131370 0.803521
C 0.209351 -1.556489 -0.454471
C -1.487194 1.129293 -0.335330
C 4.613544 2.013374 1.221474
C 4.086640 1.078370 -0.965360
C 1.031458 -3.606369 0.669373
C -0.006006 -3.758341 -1.529847
C -2.844960 0.887296 0.129381
C -0.378721 1.493786 1.872951
C -1.301041 1.616209 -1.636624
C 5.770533 2.801853 0.588539
C 5.257304 1.873028 -1.568317
C 0.732621 -5.098248 0.892435
C -0.301696 -5.244054 -1.271078
C -3.950807 1.129826 -0.784275
C -2.392269 1.859192 -2.524622
C -3.176877 0.429497 1.452417
C -3.696562 1.612333 -2.108925
C -5.299360 0.892854 -0.355901
C -4.499847 0.213357 1.843052
C -5.576934 0.438777 0.932454
H 0.998994 2.449117 -0.231604
H 1.235983 0.884497 -1.050042
H -1.104753 -1.126508 1.186213
H 0.608896 -0.916135 1.606483
H 2.529337 0.036113 0.951667
H 2.180084 1.571250 1.803949
H 1.256323 -1.331732 -0.786106
H -0.468502 -1.246441 -1.272140
H 5.008887 1.044665 1.619603
H 4.198089 2.589017 2.069736
H 3.298379 0.967793 -1.732889
H 4.442669 0.053038 -0.686852
H 1.000267 -3.089025 1.645455
H 2.065505 -3.495605 0.251809
H 0.969236 -3.671653 -2.073310
H -0.797674 -3.332372 -2.174992
H -0.295771 1.829665 -2.005498
H 5.408850 3.805427 0.277213
H 6.611395 2.911040 1.292998
H 5.731351 1.317134 -2.394221
H 4.885527 2.852235 -1.940300
H 1.522592 -5.574706 1.496158
H -0.247199 -5.205661 1.405879
H -1.309961 -5.347534 -0.815471
H -0.253054 -5.828692 -2.204506
H -2.189373 2.239570 -3.531303
H -2.390811 0.272440 2.193877
H -4.544363 1.789387 -2.781077
H -6.113049 1.082990 -1.066037
H -4.713361 -0.125378 2.862537
H -6.609854 0.263326 1.251439


