%chk=000135692.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000135692

0 1
 O    6.027500     -0.6351000      -1.944500    
 O    4.021000       1.693600       2.119600    
 O   -1.304900      -3.152700       1.546800    
 O   -1.452400      -3.311700     -0.6377000    
 N    3.913000     -3.3599999E-02 -0.1384000    
 N   -2.178400     -0.5723000      0.3165000    
 N    1.514200       1.370300     -7.6200001E-02
 N   -5.671700      0.2948000     -0.3242000    
 N  -0.8865000      -2.891100      0.3965000    
 C   0.2767000     -0.6798000      0.1572000    
 C  -0.9112000      5.7700001E-02  0.1847000    
 C    1.483600      2.7300000E-02  2.3499999E-02
 C    2.669600     -0.7015000     -4.4999998E-03
 C  -0.8852000       1.452200      8.1699997E-02
 C   -2.942300     -0.9986000     -0.8074000    
 C   0.2801000      -2.081900      0.2588000    
 C   0.3671000       2.075900     -4.9100000E-02
 C   -4.216800      -1.711000     -0.3560000    
 C    4.184300      0.7685000      -1.310200    
 C    4.921500     -0.1625000      0.8894000    
 C    2.676700      -2.094900      9.6299998E-02
 C    1.479600      -2.786900      0.2282000    
 C   -5.183000     -0.8387000      0.4513000    
 C   -2.063500       2.218500      0.1066000    
 C   0.3995000       3.464100     -0.1521000    
 C    4.793900     -9.5100001E-02  -2.401500    
 C    4.370700      0.3190000       2.220900    
 C   -2.003800       3.604900      1.7000000E-03
 C  -0.7695000       4.228700     -0.1279000    
 C   -6.244300       1.314200      0.5571000    
 C   -6.665100     -0.1422000      -1.306800    
 H   -2.385000      -1.583000      -1.539900    
 H   -3.239300     -0.1125000      -1.383600    
 H   -2.322000      -1.045300       1.203800    
 H   -4.718000      -2.132300      -1.234300    
 H   -3.948600      -2.573100      0.2678000    
 H    4.880000       1.576600      -1.052500    
 H    3.290500       1.252300      -1.715100    
 H    5.804500      0.4370000      0.6367000    
 H    5.260500      -1.200900      0.9753000    
 H    3.607300      -2.655200      6.2300000E-02
 H    1.501800      -3.871500      0.3029000    
 H   -4.652100     -0.4848000       1.344500    
 H   -6.013300      -1.454900      0.8211000    
 H   -3.045400       1.769000      0.2182000    
 H    1.354800       3.976000     -0.2543000    
 H    4.131600     -0.9231000      -2.674900    
 H    4.991000      0.5070000      -3.294000    
 H    3.490800     -0.2460000       2.543600    
 H    5.138800      0.2207000       2.995000    
 H   -2.915100       4.194500      2.3800001E-02
 H  -0.7117000       5.310100     -0.2096000    
 H   -5.490700       1.685900       1.260300    
 H   -7.095300      0.9315000       1.132200    
 H   -6.580900       2.180200     -2.3800001E-02
 H   -6.231000     -0.8159000      -2.051400    
 H   -7.044600      0.7183000      -1.870500    
 H   -7.521200     -0.6425000     -0.8394000    
 H    6.387700      -1.175200      -2.668300    
 H    3.684300       1.967100       2.989800    


%chk=000135692-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000135692

0 1
O 5.566210 1.593169 -1.600671
O 5.760746 0.470620 2.488937
O -1.809776 -2.550438 2.035677
O -0.530349 -4.410706 1.697801
N 3.805802 -0.019988 0.244145
N -2.330927 -1.193944 -0.153543
N 1.304680 0.915141 -0.743564
N -5.492468 0.691852 -0.102476
N -0.727664 -3.133007 1.541738
C 0.091283 -1.000882 0.298427
C -1.167452 -0.452953 -0.196812
C 1.307475 -0.244682 -0.028445
C 2.652727 -0.779999 0.304844
C -1.164197 0.882396 -0.769428
C -3.390549 -1.310453 -1.176423
C 0.279792 -2.324790 0.883821
C 0.106395 1.492515 -1.081353
C -4.736678 -1.696033 -0.523342
C 3.881013 1.464406 0.150106
C 5.133383 -0.660690 0.445587
C 2.726439 -2.155391 0.673382
C 1.572969 -2.887435 0.957968
C -5.273649 -0.657126 0.482484
C -2.359134 1.644109 -1.000386
C 0.140719 2.767045 -1.742766
C 4.180692 1.981484 -1.260230
C 5.515713 -0.865432 1.920921
C -2.294793 2.903676 -1.602972
C -1.039384 3.459258 -2.009456
C -5.718724 1.705182 0.953508
C -6.568288 0.718893 -1.117148
H -3.106736 -2.109828 -1.896201
H -3.498070 -0.380565 -1.751860
H -2.379565 -1.882533 0.620863
H -5.471744 -1.885802 -1.328492
H -4.618529 -2.656223 0.018330
H 4.683561 1.781739 0.839358
H 2.928445 1.899039 0.477383
H 5.879060 -0.004079 -0.031165
H 5.171868 -1.626944 -0.086966
H 3.688323 -2.644443 0.829913
H 1.652907 -3.910952 1.333501
H -4.534929 -0.547244 1.298497
H -6.214459 -1.055626 0.942748
H -3.337288 1.270350 -0.666193
H 1.122662 3.179355 -1.997029
H 3.448345 1.552368 -1.966932
H 4.083694 3.089010 -1.250440
H 4.708272 -1.386945 2.472958
H 6.438165 -1.484287 1.960555
H -3.216316 3.477785 -1.751281
H -1.007755 4.438887 -2.499783
H -4.855860 1.721793 1.642390
H -6.641042 1.511976 1.555960
H -5.813499 2.706407 0.495928
H -6.324975 0.047877 -1.958274
H -6.666887 1.741976 -1.521777
H -7.562544 0.411288 -0.704751
H 5.745275 1.807836 -2.549102
H 5.887414 0.402088 3.467530


