%chk=000135903.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000135903

1 1
 O   -5.577200      -2.361300      0.5256000    
 O   -6.281800       2.994600     -0.5250000    
 O   -7.169500     -0.8170000       2.019500    
 N   -3.140900     -4.5800000E-02 -0.7791000    
 C    3.196400     -5.6200001E-02 -0.9035000    
 C    1.834200     -7.8199998E-02 -0.2047000    
 C    4.338500     -0.1182000      0.1145000    
 C   0.6510000     -8.9299999E-02  -1.176700    
 C    5.728700     -7.7399999E-02 -0.5267000    
 C    6.869800     -6.4499997E-02  0.4931000    
 C  -0.7095000     -8.5900001E-02 -0.4786000    
 C    8.230200      5.0299998E-02 -0.2004000    
 C   -1.846400     -5.9300002E-02  -1.494600    
 C    9.370000      0.1012000      0.8196000    
 C   -3.744300      -1.200800     -0.4668000    
 C    10.75130      0.2469000      0.1779000    
 C   -3.667900       1.146100     -0.4670000    
 C   -4.880800       1.216100      0.2033000    
 C   -4.959100      -1.191800      0.2035000    
 C   -5.529800      3.2000002E-02  0.5402000    
 C   -3.089200      -2.485900     -0.8495000    
 C    11.88550      0.3237000       1.188100    
 C   -5.452700       2.551200      0.5423000    
 C   -6.806300      6.9399998E-02   1.245000    
 H    3.272700     -0.9077000      -1.590100    
 H    3.285200      0.8557000      -1.505800    
 H    1.752000      0.7968000      0.4520000    
 H    1.771200     -0.9641000      0.4394000    
 H    4.246900      -1.034700      0.7105000    
 H    4.242700      0.7235000      0.8118000    
 H   0.7244000     -0.9749000      -1.820200    
 H   0.7225000      0.7865000      -1.833600    
 H    5.844200     -0.9424000      -1.191400    
 H    5.800900      0.8177000      -1.157300    
 H  -0.7874000     -0.9564000      0.1814000    
 H  -0.7796000      0.7949000      0.1718000    
 H    6.834800     -0.9804000       1.095100    
 H    6.735600      0.7801000       1.179600    
 H    8.253900      0.9563000     -0.8179000    
 H    8.376300     -0.8038000     -0.8724000    
 H   -1.814800     -0.8774000      -2.219600    
 H   -1.794300      0.8578000      -2.096100    
 H    9.351700     -0.8105000       1.429500    
 H    9.204800      0.9428000       1.504000    
 H    10.76990       1.151200     -0.4422000    
 H    10.93070     -0.6017000     -0.4929000    
 H   -3.107700       2.027800     -0.7559000    
 H   -3.457200      -2.812300      -1.827300    
 H   -1.999700      -2.455300     -0.8790000    
 H   -3.301800      -3.275200     -0.1199000    
 H    11.92180     -0.5810000       1.803100    
 H    11.75950       1.185200       1.851400    
 H    12.84640      0.4261000      0.6744000    
 H   -6.019700       2.549800       1.478400    
 H   -4.648400       3.284900      0.6739000    
 H   -7.456400      0.9426000       1.076400    
 H   -5.295600      -3.068100     -7.6899998E-02
 H   -6.619600       3.872300     -0.2777000    


%chk=000135903-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000135903

1 1
O -5.697462 -2.391561 0.484278
O -6.946164 2.603100 -0.438872
O -7.372781 -0.823022 2.057464
N -3.201977 -0.027914 -0.813864
C 3.245213 0.094010 -0.824826
C 1.863477 -0.001394 -0.138653
C 4.421344 0.004115 0.173939
C 0.688686 0.077691 -1.141456
C 5.805341 0.100273 -0.506867
C 6.981753 0.006702 0.491076
C -0.687626 -0.020077 -0.440511
C 8.366879 0.104708 -0.187241
C -1.840068 0.051881 -1.466214
C 9.543560 0.012264 0.810456
C -3.770485 -1.238101 -0.470781
C 10.929188 0.111450 0.132298
C -3.831140 1.166783 -0.538412
C -5.075278 1.217093 0.101137
C -5.049491 -1.223253 0.168540
C -5.709401 0.001552 0.479979
C -3.099655 -2.557375 -0.762388
C 12.098620 0.021654 1.136319
C -5.713050 2.571324 0.360694
C -7.034324 0.038145 1.215925
H 3.341494 -0.717100 -1.576250
H 3.314276 1.049384 -1.385265
H 1.768679 0.814204 0.607477
H 1.802365 -0.953818 0.427653
H 4.355929 -0.951884 0.734349
H 4.327968 0.814064 0.927135
H 0.790254 -0.738553 -1.886324
H 0.754649 1.030047 -1.706365
H 5.901353 -0.707998 -1.261685
H 5.875350 1.057263 -1.065017
H -0.741580 -0.965295 0.134569
H -0.792696 0.804938 0.291005
H 6.914871 -0.950893 1.048810
H 6.887340 0.813970 1.247265
H 8.435732 1.062098 -0.745181
H 8.463969 -0.702793 -0.942948
H -1.762640 -0.748416 -2.219931
H -1.805713 1.010408 -2.011025
H 9.478531 -0.945228 1.368791
H 9.449352 0.819513 1.566852
H 10.993755 1.067374 -0.426688
H 11.024602 -0.696280 -0.621923
H -3.309607 2.069576 -0.859863
H -3.674022 -3.136732 -1.512094
H -2.077623 -2.457238 -1.147355
H -3.024946 -3.167863 0.158549
H 12.076895 -0.937761 1.686961
H 12.044561 0.837057 1.882173
H 13.076530 0.095533 0.626570
H -5.933112 2.686690 1.442656
H -5.015274 3.379189 0.063870
H -7.675117 0.907328 0.953417
H -5.217610 -3.214978 0.212717
H -7.397577 3.480141 -0.338424


