%chk=000100781.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000100781

0 1
 O    3.708400      0.6643000      0.8030000    
 O   -3.770400     -0.6972000     -0.1036000    
 O    3.728300       2.552000       2.106600    
 O   -6.035800     -0.8092000      0.2327000    
 N  -0.8301000      -1.090100     -0.2213000    
 C   0.7899000      0.6231000     -6.5300003E-02
 C   0.5708000     -0.8144000     -0.5306000    
 C    2.033200       1.246500     -0.7139000    
 C    1.734400      -1.721800     -9.1700003E-02
 C    3.060700      -1.164200     -0.7108000    
 C    3.262000      0.3571000     -0.5277000    
 C  -0.5463000       1.265000     -0.3982000    
 C   -1.520600      0.1784000      7.1099997E-02
 C    2.456300       2.513200      3.1800002E-02
 C    1.897400      -1.890800       1.432500    
 C   -1.174100      -2.214600      0.6257000    
 C   -2.863100      0.2757000     -0.6407000    
 C    3.151000      -1.513800      -2.205900    
 C   0.8394000      -2.767700       2.089900    
 C  -0.5775000      -2.214900       2.031700    
 C    3.355800       1.952500       1.109600    
 C   -3.561600       1.599800     -0.4210000    
 C    3.227000       3.498400     -0.8351000    
 C    3.096200      -3.010500      -2.416900    
 C   -5.015300       1.226000     -0.6368000    
 C   -5.042400     -0.1879000     -0.1114000    
 C   -5.973500       2.145000      9.6400000E-02
 H   0.8903000      0.6544000       1.028000    
 H   0.5792000     -0.8132000      -1.628900    
 H    1.839000       1.429900      -1.777200    
 H    1.540600      -2.727900     -0.4736000    
 H    3.902600      -1.667100     -0.2144000    
 H    4.071600      0.6839000      -1.193800    
 H  -0.6955000       2.209400      0.1342000    
 H  -0.6336000       1.453800      -1.475500    
 H   -1.661800      0.2804000       1.155100    
 H    1.599200       3.011900      0.4954000    
 H    1.938800     -0.9279000       1.949300    
 H    2.864800      -2.371800       1.629100    
 H  -0.8893000      -3.140600      0.1098000    
 H   -2.260500      -2.293000      0.7251000    
 H   -2.751400      6.8899997E-02  -1.713600    
 H    4.112300      -1.153400      -2.594100    
 H    2.376900      -1.018700      -2.800400    
 H    1.112400      -2.892500       3.145600    
 H   0.8658000      -3.772300       1.650000    
 H   -1.206600      -2.858100       2.660700    
 H  -0.6170000      -1.219500       2.487900    
 H   -3.218600       2.381200      -1.105800    
 H   -3.406700       1.956100      0.6055000    
 H    3.528800       4.371300     -0.2461000    
 H    4.140100       3.058800      -1.249600    
 H    2.607400       3.848800      -1.666800    
 H    3.729500      -3.550900      -1.706300    
 H    2.076500      -3.401000      -2.356200    
 H    3.454900      -3.250900      -3.424100    
 H   -5.250500       1.193500      -1.706900    
 H   -5.808000       2.118000       1.179100    
 H   -5.858700       3.179100     -0.2436000    
 H   -7.010800       1.841300     -8.0799997E-02


%chk=000100781-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000100781

0 1
O 3.765379 0.714868 0.781988
O -3.879101 -0.671149 -0.056418
O 3.783273 2.631610 2.098045
O -6.143312 -0.765199 0.452614
N -0.837293 -1.047583 -0.235815
C 0.796013 0.692736 -0.122636
C 0.576372 -0.761559 -0.594662
C 2.037208 1.308641 -0.787968
C 1.698296 -1.700126 -0.074581
C 3.054094 -1.178454 -0.683781
C 3.257586 0.354237 -0.598001
C -0.581991 1.330123 -0.385799
C -1.558908 0.206817 0.081435
C 2.516963 2.599126 -0.069057
C 1.762937 -1.890216 1.467215
C -1.235628 -2.300277 0.431802
C -2.917799 0.342115 -0.628412
C 3.270047 -1.666703 -2.151198
C 0.730741 -2.893670 2.035628
C -0.750293 -2.475434 1.899854
C 3.400956 2.049690 1.069490
C -3.639474 1.697656 -0.419495
C 3.326887 3.577118 -0.957209
C 3.616380 -3.168753 -2.250531
C -5.142686 1.338172 -0.481973
C -5.175696 -0.116008 0.025120
C -6.096853 2.251918 0.307217
H 0.951368 0.677725 0.975425
H 0.672324 -0.764193 -1.708225
H 1.848422 1.482498 -1.864584
H 1.529229 -2.707118 -0.509763
H 3.879918 -1.613077 -0.083235
H 4.072135 0.641390 -1.292310
H -0.751372 2.275513 0.157290
H -0.713691 1.523158 -1.470634
H -1.756797 0.315412 1.176839
H 1.676509 3.150523 0.389486
H 1.669472 -0.921285 1.994441
H 2.776202 -2.260933 1.719667
H -0.871324 -3.156045 -0.172022
H -2.337431 -2.346083 0.404950
H -2.796947 0.088163 -1.699019
H 4.099918 -1.088326 -2.606109
H 2.371627 -1.454768 -2.763961
H 0.960485 -3.059864 3.107423
H 0.870700 -3.874526 1.532248
H -1.383256 -3.247096 2.383843
H -0.930529 -1.533156 2.457421
H -3.340262 2.442241 -1.175028
H -3.394379 2.101393 0.582474
H 3.744722 4.396359 -0.346836
H 4.166825 3.068344 -1.464354
H 2.675629 4.017766 -1.732896
H 4.544849 -3.396220 -1.694004
H 2.813021 -3.805841 -1.838366
H 3.769885 -3.469652 -3.302804
H -5.470558 1.300505 -1.542419
H -5.776569 2.336395 1.361369
H -6.122977 3.265744 -0.129839
H -7.119444 1.837159 0.297859


