%chk=000120968.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000120968

0 1
 O   -5.647100       2.116000      0.1491000    
 O   -7.285500     -0.1294000      0.1709000    
 N   0.4584000      -1.001300      4.4000000E-03
 N    3.218300     -0.2761000      0.1308000    
 C    1.230700      -1.227300       1.232000    
 C   0.9394000      0.2095000     -0.6725000    
 C    2.718900      -1.405500      0.9210000    
 C    2.417300      7.8199998E-02  -1.047700    
 C  -0.9674000     -0.8864000      0.3089000    
 C   -1.782000     -0.6499000     -0.9633000    
 C    4.590600     -4.3000001E-03  9.8999999E-02
 C   -3.252400     -0.5070000     -0.6605000    
 C    5.305200     -1.6000001E-02  -1.115700    
 C    5.299900      0.2887000       1.281000    
 C   -3.773600      0.7498000     -0.3933000    
 C   -4.058500      -1.635300     -0.6532000    
 C    6.673300      0.2542000      -1.147200    
 C    6.668000      0.5590000       1.249500    
 C    7.354700      0.5417000      3.5500001E-02
 C   -5.133500      0.8816000     -0.1123000    
 C   -5.418400      -1.503600     -0.3722000    
 C   -5.955800     -0.2452000     -0.1017000    
 C    8.817400      0.8309000      1.7000000E-03
 C   -4.739200       3.215400      0.1185000    
 C   -7.678800     -0.2376000       1.537600    
 H   0.8760000      -2.133900       1.737200    
 H    1.101000     -0.3910000       1.932100    
 H   0.7932000       1.096300     -4.1499998E-02
 H   0.4330000      0.3873000      -1.624000    
 H    2.880100      -2.336500      0.3625000    
 H    3.259600      -1.499000       1.869800    
 H    2.744500       1.037900      -1.467800    
 H    2.533200     -0.6911000      -1.822300    
 H   -1.313300      -1.812900      0.7854000    
 H   -1.149900     -7.4400000E-02   1.026400    
 H   -1.629400      -1.473400      -1.673500    
 H   -1.497200      0.2627000      -1.495200    
 H    4.814900     -0.2511000      -2.056900    
 H    4.782800      0.3177000       2.237500    
 H   -3.084500       1.586900     -0.4121000    
 H   -3.648700      -2.619600     -0.8607000    
 H    7.198700      0.2328000      -2.098400    
 H    7.187700      0.7823000       2.177500    
 H   -6.053200      -2.385600     -0.3659000    
 H    9.386400     -9.6900001E-02  0.1174000    
 H    9.104900       1.303600     -0.9436000    
 H    9.102800       1.520000      0.8038000    
 H   -4.311700       3.358700     -0.8798000    
 H   -3.970200       3.125800      0.8933000    
 H   -5.317200       4.116700      0.3482000    
 H   -8.763900     -0.1159000       1.592600    
 H   -7.207700      0.5473000       2.137700    
 H   -7.416400      -1.223200       1.935000    


%chk=000120968-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000120968

0 1
O -6.115397 1.805258 0.158152
O -7.435945 -0.705969 0.370171
N 0.512235 -0.673932 0.008699
N 3.367089 -0.144976 0.127280
C 1.293752 -0.966962 1.234899
C 1.104403 0.497228 -0.679455
C 2.757759 -1.268088 0.878683
C 2.574605 0.238314 -1.056244
C -0.935142 -0.523214 0.292867
C -1.814418 -0.568894 -0.985496
C 4.782302 -0.023416 0.079678
C -3.297096 -0.584162 -0.644879
C 5.464872 0.411083 -1.094806
C 5.581722 -0.293235 1.233065
C -3.991357 0.629106 -0.401289
C -4.005028 -1.803314 -0.526772
C 6.867380 0.579835 -1.101339
C 6.978508 -0.131357 1.204642
C 7.659493 0.312610 0.039652
C -5.360379 0.634528 -0.047660
C -5.367559 -1.807575 -0.155851
C -6.059856 -0.604735 0.094371
C 9.168366 0.490617 0.028351
C -5.447780 3.089355 -0.063343
C -7.949045 -0.002945 1.563771
H 0.855098 -1.852111 1.732010
H 1.262635 -0.110710 1.956788
H 1.052182 1.412281 -0.033480
H 0.541321 0.702454 -1.606931
H 2.791436 -2.201436 0.270464
H 3.321142 -1.450032 1.806794
H 2.987080 1.170803 -1.479548
H 2.614448 -0.549634 -1.844800
H -1.236543 -1.362384 0.948304
H -1.155150 0.421208 0.855925
H -1.535875 -1.475839 -1.552606
H -1.585622 0.302832 -1.627828
H 4.914029 0.600360 -2.020539
H 5.109316 -0.605706 2.169994
H -3.452126 1.576245 -0.512012
H -3.491849 -2.751692 -0.723048
H 7.354003 0.915060 -2.026163
H 7.553933 -0.344306 2.115032
H -5.930491 -2.741638 -0.061848
H 9.691397 -0.449585 0.288014
H 9.527510 0.808741 -0.966042
H 9.493631 1.254755 0.760567
H -5.074706 3.172544 -1.102447
H -4.609608 3.238137 0.645368
H -6.222339 3.849943 0.114644
H -9.018972 -0.258871 1.603793
H -7.812892 1.086768 1.470922
H -7.441076 -0.371744 2.476527


