%chk=000147259.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000147259

0 1
 O   -2.878300      -1.177100       1.840900    
 O   -2.724100       2.163400      0.1775000    
 O    3.756300     -5.9700001E-02  0.5264000    
 O   0.7643000      -3.638300     -0.5959000    
 O    1.537300       1.346100       1.182600    
 O   -2.328500       3.789900      -1.402900    
 N   -3.157200     -0.5579000      -1.862200    
 N   -1.486400      -1.919100      6.7000002E-02
 N   -4.283100       3.759400     -0.1923000    
 C   -3.409400     -0.6626000     -0.4275000    
 C   -2.312500     -0.8054000      0.5828000    
 C   -3.369400      -1.879700      -1.298500    
 C   -2.179500      -2.721500     -0.9334000    
 C   -1.290700      0.3558000      0.7981000    
 C  -0.1521000      -1.595200      0.1298000    
 C   3.1099999E-02 -0.3463000      0.5586000    
 C   -1.466300       1.575300     -0.1006000    
 C   0.9580000      -2.484900     -0.2268000    
 C    1.369800      0.2155000      0.7389000    
 C   -3.553500     -8.5000001E-02   2.444100    
 C    2.522100     -0.6549000      0.3584000    
 C    2.341500      -1.911200     -0.1022000    
 C    5.498200       1.266700     -0.4183000    
 C    5.659900       2.699400     -0.7781000    
 C    5.613300       2.280400      0.6620000    
 C    4.150200      0.6180000     -0.6505000    
 C    3.435400      -2.852200     -0.5295000    
 C   -3.046300       3.281300     -0.5483000    
 H   -4.369500     -0.3051000     -9.2699997E-02
 H   -4.273500      -2.404000      -1.559700    
 H   -2.167300     -0.4189000      -2.057000    
 H   -1.560400      -2.921000      -1.814200    
 H   -2.498900      -3.670800     -0.4926000    
 H   -1.273800      0.6980000       1.837600    
 H   -1.378200       1.326700      -1.162600    
 H  -0.6854000       2.312300      0.1242000    
 H   -4.035300      0.6076000       1.751700    
 H   -2.881100      0.4607000       3.112100    
 H   -4.339900     -0.5043000       3.080200    
 H    6.327900      0.5878000     -0.5635000    
 H    4.812600       3.248900      -1.168800    
 H    6.615500       3.014600      -1.179600    
 H    4.731400       2.545700       1.232200    
 H    6.536800       2.316600       1.226800    
 H    3.403600       1.375600     -0.9221000    
 H    4.246100     -8.1799999E-02  -1.490100    
 H    4.429900      -2.417500     -0.3889000    
 H    3.329500      -3.104700      -1.589600    
 H    3.398300      -3.775800      5.7599999E-02
 H   -4.678000       4.583700     -0.6325000    
 H   -4.840400       3.302100      0.5215000    


%chk=000147259-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000147259

0 1
O -2.810710 -0.950311 1.939985
O -2.972669 2.251473 -0.042419
O 3.736568 0.009993 -0.280257
O 0.718201 -3.664327 -0.531175
O 1.471187 1.750987 0.336613
O -2.892410 3.662759 -1.931388
N -3.217507 -1.149747 -1.886405
N -1.487736 -1.875694 0.223046
N -4.630484 3.783531 -0.356161
C -3.508099 -0.846755 -0.428596
C -2.339885 -0.699687 0.561178
C -3.493936 -2.288893 -0.926590
C -2.278275 -3.005370 -0.311811
C -1.356707 0.533219 0.509189
C -0.183568 -1.494466 0.027628
C -0.012686 -0.126750 0.210764
C -1.696113 1.637574 -0.500297
C 0.945245 -2.420411 -0.321219
C 1.280532 0.492794 0.143063
C -3.823250 -0.005141 2.439275
C 2.440495 -0.445060 -0.188742
C 2.275582 -1.813642 -0.409147
C 5.627162 1.483724 -0.482643
C 6.452783 2.630570 0.131289
C 6.610735 1.199111 0.661193
C 4.144673 1.459420 -0.219960
C 3.453081 -2.699142 -0.744566
C -3.457671 3.282000 -0.879470
H -4.420765 -0.277194 -0.251459
H -4.403852 -2.861828 -1.116938
H -2.206107 -1.078776 -2.119684
H -1.672693 -3.586294 -1.025824
H -2.600308 -3.675145 0.506137
H -1.339182 0.988891 1.517219
H -1.830644 1.259246 -1.528655
H -0.902707 2.403566 -0.501167
H -4.826718 -0.231394 2.028814
H -3.559131 1.043357 2.202008
H -3.838360 -0.151077 3.530650
H 5.920382 1.144988 -1.481840
H 5.931760 3.357846 0.761990
H 7.258947 3.056747 -0.471531
H 6.189527 0.964751 1.643614
H 7.528477 0.654549 0.423806
H 3.884731 1.862261 0.773665
H 3.566939 2.013610 -0.979162
H 3.979793 -2.336388 -1.645949
H 3.106945 -3.730570 -0.915250
H 4.195984 -2.697970 0.074025
H -5.098677 4.535336 -0.853905
H -5.008879 3.426329 0.517162


