%chk=000091592.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000091592

0 1
 O  -0.5368000      0.1811000      -1.979000    
 O   -1.691500     -0.8319000       2.228100    
 O   -2.750600       3.099500      -1.249500    
 O   0.6464000       3.138500      -1.075500    
 N   -2.109100     -0.9268000     -4.5600001E-02
 N    1.146600     -0.2284000     -0.4234000    
 N   -3.554600       1.420300      0.1462000    
 N  -0.4595000       2.001400      0.6373000    
 C  -0.9001000      -1.637600     -0.4510000    
 C   -1.210400      -2.711200      -1.478100    
 C   -1.974100      -3.910800     -0.8958000    
 C  -7.2499998E-02 -0.5064000      -1.063100    
 C   -3.434700      0.5867000       1.370800    
 C   -3.357000      -3.459500     -0.4200000    
 C   -1.223200      -4.577800      0.2575000    
 C   -2.303700     -0.4381000       1.234400    
 C   -4.711400     -0.1436000       1.790600    
 C    1.561100       1.096400     -0.2471000    
 C   -2.691500       2.481600     -0.1794000    
 C    2.019200      -1.323600      3.4000000E-03
 C   -1.601100       2.872500      0.8052000    
 C   -4.659000       1.140000     -0.7767000    
 C   0.5458000       2.197400     -0.2966000    
 C    2.792800       1.504300      9.2900001E-02
 C    3.975400      0.6413000      0.2179000    
 C    4.277800      7.1400002E-02   1.446400    
 C    4.771900      0.4092000     -0.8944000    
 C    5.400600     -0.7477000       1.565200    
 C    5.894600     -0.4100000     -0.7755000    
 C    6.208900     -0.9884000      0.4544000    
 H  -0.4215000      -2.029300      0.4470000    
 H   -1.778400      -2.291400      -2.319200    
 H  -0.2679000      -3.075500      -1.907800    
 H   -2.104200      -4.644600      -1.700900    
 H   -2.706600     -0.5851000     -0.7899000    
 H   -3.156500       1.250400       2.194200    
 H   -4.003500      -4.339700     -0.3169000    
 H   -3.844500      -2.794600      -1.140400    
 H   -3.341000      -2.990200      0.5667000    
 H  -0.1958000      -4.818900     -3.4200002E-02
 H   -1.717900      -5.515300      0.5349000    
 H   -1.189600      -3.954800       1.156400    
 H   -4.555700     -0.6748000       2.736500    
 H   -5.537700      0.5600000       1.934900    
 H   -5.019500     -0.8924000       1.053500    
 H    1.536200      -2.287500     -0.1876000    
 H    2.185000      -1.281200       1.080300    
 H    2.911100      -1.382000     -0.6172000    
 H   -1.296800       3.903800      0.5942000    
 H   -1.935700       2.835600       1.842100    
 H   -5.596800       1.436800     -0.2986000    
 H   -4.688500      7.5400002E-02  -1.020700    
 H   -4.563000       1.700900      -1.709900    
 H  -0.3894000       1.206400       1.265100    
 H    3.000800       2.559200      0.2635000    
 H    3.662200      0.2580000       2.322800    
 H    4.538000      0.8537000      -1.858200    
 H    5.646400      -1.196500       2.523100    
 H    6.524000     -0.5978000      -1.640400    
 H    7.083200      -1.626000      0.5469000    


%chk=000091592-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000091592

0 1
O 0.424051 -0.089491 -1.802651
O -2.141153 -1.511782 2.151099
O -3.281785 3.190078 -1.119799
O 1.004887 3.539805 0.277368
N -1.907876 -0.916710 -0.095937
N 1.098106 -0.164691 0.427860
N -3.619976 1.255527 0.135982
N -0.639103 1.946097 0.746410
C -0.704898 -1.742017 -0.388363
C -0.856000 -2.686781 -1.597446
C -1.887771 -3.843888 -1.466367
C 0.369596 -0.647221 -0.664607
C -3.408550 0.444657 1.360478
C -3.361504 -3.379177 -1.579362
C -1.672227 -4.691852 -0.188453
C -2.447860 -0.771217 1.163736
C -4.720312 -0.017275 2.034575
C 1.649505 1.179002 0.341388
C -2.945350 2.464128 -0.139687
C 1.315211 -0.945256 1.680105
C -1.766931 2.882815 0.773685
C -4.717924 0.862685 -0.779920
C 0.661418 2.329595 0.434870
C 2.981943 1.478441 0.279964
C 4.145554 0.591255 0.142171
C 5.422954 1.099263 0.520632
C 4.076605 -0.728581 -0.394570
C 6.585012 0.310056 0.403318
C 5.240984 -1.511425 -0.523981
C 6.498159 -1.002242 -0.117356
H -0.497051 -2.314245 0.528639
H -1.069253 -2.080292 -2.498273
H 0.146257 -3.132082 -1.765575
H -1.692924 -4.502587 -2.339437
H -2.203945 -0.262063 -0.828729
H -2.883799 1.077755 2.100910
H -4.035019 -4.252677 -1.661160
H -3.515699 -2.748863 -2.475863
H -3.669578 -2.800729 -0.690745
H -0.623548 -5.036149 -0.102958
H -2.318156 -5.589163 -0.203781
H -1.922846 -4.120451 0.724981
H -4.464094 -0.580712 2.946641
H -5.339781 0.853094 2.311566
H -5.312124 -0.679907 1.381100
H 0.371386 -1.120106 2.227174
H 1.994353 -0.367573 2.324482
H 1.795378 -1.915931 1.465480
H -1.399152 3.847177 0.388247
H -2.121485 3.052141 1.811778
H -5.708299 1.095537 -0.349164
H -4.670983 -0.219522 -0.998828
H -4.603950 1.440416 -1.709766
H -0.809549 0.949227 0.875187
H 3.193774 2.555297 0.348178
H 5.494435 2.121577 0.911482
H 3.118361 -1.115657 -0.750112
H 7.555403 0.718051 0.706289
H 5.173849 -2.516839 -0.954514
H 7.399973 -1.616120 -0.218571


