%chk=000009413.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000009413

0 1
 O   -2.050400     -0.7980000      -2.370500    
 O    3.454000      0.2230000     -0.2478000    
 O    2.435100       4.700100      0.7159000    
 N   0.5051000     -0.1446000     -0.5944000    
 N    1.593400      -3.647500      9.4400004E-02
 N   0.6779000       3.257500      0.2211000    
 N  -0.9650000       1.511000     -0.3340000    
 N    2.968300       2.470100      0.2374000    
 C    1.017000      -1.469300     -0.8593000    
 C    1.232300      0.9645000     -0.2702000    
 C    1.097400      -2.313600      0.4092000    
 C  -0.8123000      0.2346000     -0.6206000    
 C   0.3090000       1.962400     -0.1163000    
 C   -1.897200     -0.7166000     -0.9403000    
 C    2.640100       1.131700     -0.1067000    
 C    1.674600      -4.466800       1.305200    
 C    2.903300      -3.571100     -0.5550000    
 C    2.047900       3.565700      0.4136000    
 C   -3.239700     -0.3790000     -0.2885000    
 C  -0.3364000       4.292900      0.3762000    
 C   0.3321000      -4.564600       2.000100    
 C    3.407500      -4.943600     -0.9505000    
 C    4.377800       2.790400      0.4383000    
 C   -3.490300     -0.8434000      0.9824000    
 C   -4.145100      0.3766000     -0.9977000    
 C   -4.714100     -0.5354000       1.576800    
 C   -5.368800      0.6845000     -0.4031000    
 C   -5.653300      0.2284000      0.8842000    
 H   0.3827000      -1.950800      -1.610100    
 H    1.979100      -1.307600      -1.348100    
 H    1.735100      -1.815900       1.152400    
 H   8.8500001E-02  -2.354600      0.8319000    
 H   -1.649600      -1.733900     -0.6174000    
 H    1.953200      -5.495400       1.053800    
 H    2.425200      -4.083400       2.007900    
 H    2.848200      -3.032400      -1.504000    
 H    3.646300      -3.065100      7.4199997E-02
 H   0.1068000       5.255700      0.6423000    
 H   -1.031200       3.993300       1.166800    
 H  -0.8786000       4.402600     -0.5681000    
 H   6.7299999E-02  -3.646000       2.533000    
 H  -0.4725000      -4.815400       1.300100    
 H   0.3661000      -5.360100       2.753300    
 H    3.760700      -5.523600     -9.2399999E-02
 H    2.641800      -5.522000      -1.479200    
 H    4.262900      -4.841400      -1.628200    
 H    5.027500       1.924700      0.2910000    
 H    4.509700       3.171900       1.455900    
 H    4.662600       3.579700     -0.2648000    
 H   -1.214800      -1.118400      -2.748700    
 H   -2.762500      -1.436600       1.527400    
 H   -3.938800      0.7525000      -1.994600    
 H   -4.935200     -0.8897000       2.579400    
 H   -6.099100       1.282100     -0.9408000    
 H   -6.605700      0.4691000       1.347400    


%chk=000009413-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000009413

0 1
O -2.997149 0.690391 -2.420528
O 3.379580 0.150397 -0.145203
O 2.825131 4.831597 -0.204642
N 0.353253 0.010790 -0.943066
N 1.319715 -3.260949 0.717511
N 0.944695 3.524835 -0.718571
N -0.865265 1.919072 -1.237703
N 3.065851 2.499508 -0.180311
C 0.723348 -1.419018 -0.818406
C 1.208637 1.098106 -0.674943
C 0.700597 -1.920961 0.650619
C -0.876060 0.552275 -1.269310
C 0.428090 2.249096 -0.873718
C -2.142944 -0.197505 -1.619667
C 2.604359 1.143324 -0.323055
C 0.640716 -4.203464 1.644851
C 2.800319 -3.207679 0.895686
C 2.304594 3.691082 -0.359149
C -2.886146 -0.710679 -0.378838
C 0.096780 4.712711 -0.936570
C -0.694404 -4.735449 1.090994
C 3.520657 -4.415766 0.268067
C 4.486066 2.709621 0.186583
C -3.401901 -2.027921 -0.359737
C -3.114214 0.140921 0.731983
C -4.138556 -2.493232 0.753940
C -3.847743 -0.322293 1.844674
C -4.362139 -1.641340 1.859340
H 0.031175 -2.021952 -1.428838
H 1.741722 -1.537283 -1.220443
H 1.232348 -1.178795 1.289719
H -0.345288 -1.969911 1.002172
H -1.904227 -1.057183 -2.275275
H 1.322926 -5.058519 1.802632
H 0.475972 -3.741318 2.650568
H 3.168966 -2.278677 0.424153
H 3.065489 -3.130909 1.979613
H 0.720256 5.601411 -0.761966
H -0.756090 4.704527 -0.237149
H -0.290858 4.717395 -1.969133
H -1.423768 -3.922480 0.923146
H -0.525810 -5.251668 0.129362
H -1.150057 -5.449974 1.802336
H 3.192176 -5.372689 0.713899
H 3.318199 -4.460663 -0.816428
H 4.613062 -4.332398 0.420091
H 4.950623 1.717529 0.280161
H 4.552653 3.260605 1.138853
H 4.992475 3.303269 -0.591650
H -2.728127 1.625589 -2.192948
H -3.239777 -2.686974 -1.222062
H -2.721043 1.164403 0.719234
H -4.537791 -3.513573 0.757343
H -4.022017 0.341510 2.698972
H -4.933156 -1.999541 2.723108


