%chk=000041513.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000041513

0 1
 O    2.724600      -1.621200      -1.558700    
 O    1.349100     -0.3518000       2.669600    
 N    1.824700      -1.301600      0.5792000    
 N   -3.460900     -0.5561000     -0.2779000    
 C    3.592300      6.8899997E-02 -2.9200001E-02
 C    2.771300      0.7720000       1.057100    
 C    4.143300      0.9569000      -1.140100    
 C    1.846200       1.891100      0.5513000    
 C    2.668000      -1.041100     -0.4851000    
 C    1.910100     -0.3568000       1.583300    
 C    3.316900       2.161600      -1.451500    
 C    2.294200       2.576900     -0.6977000    
 C   -4.860700       1.943900      0.2988000    
 C   -3.460100       1.656900      0.8281000    
 C   -5.604500      0.6414000      2.6500000E-02
 C   -2.706400      0.6906000     -8.6999997E-02
 C   -4.782800     -0.2927000     -0.8634000    
 C   0.9219000      -2.435000      0.6119000    
 C   -2.706300      -1.487400      -1.116200    
 C  -0.3623000      -2.096000      8.9999998E-04
 C   -1.418700      -1.820400     -0.5000000    
 H    4.439700     -0.4521000      0.4414000    
 H    3.430700       1.141300       1.850400    
 H    4.282300      0.3775000      -2.060000    
 H    5.137800       1.314900     -0.8449000    
 H    1.752000       2.642100       1.346000    
 H   0.8287000       1.517000      0.3779000    
 H    3.580000       2.730000      -2.339300    
 H    1.743600       3.462500      -1.002800    
 H   -5.418200       2.552300       1.019300    
 H   -4.789500       2.525600     -0.6285000    
 H   -2.900500       2.595000      0.9175000    
 H   -3.530700       1.229200       1.836400    
 H   -5.826400      0.1415000      0.9779000    
 H   -6.566100      0.8581000     -0.4524000    
 H   -2.508600       1.179100      -1.050700    
 H   -1.736800      0.5087000      0.3895000    
 H   -5.336000      -1.233700     -0.9711000    
 H   -4.686400      0.1454000      -1.865600    
 H   0.7724000      -2.736900       1.653900    
 H    1.384500      -3.269000      7.3299997E-02
 H   -3.277000      -2.416000      -1.240700    
 H   -2.541800      -1.074400      -2.119600    


%chk=000041513-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000041513

0 1
O 3.044506 -2.032230 -1.245344
O 1.258900 0.185300 2.479990
N 1.929325 -1.153538 0.647893
N -3.685510 -0.440945 -0.315321
C 3.912974 -0.019740 -0.006947
C 3.047730 0.928057 0.875987
C 4.637246 0.588024 -1.234083
C 2.287044 2.019229 0.058072
C 2.950279 -1.176850 -0.334672
C 1.996738 -0.008601 1.486028
C 4.188237 1.986191 -1.604593
C 3.149457 2.636946 -1.023292
C -5.608127 1.579710 0.618301
C -4.256388 1.341787 1.328962
C -6.059119 0.291777 -0.108148
C -3.203903 0.802974 0.340359
C -4.954124 -0.217761 -1.055308
C 0.861551 -2.172840 0.745679
C -2.660023 -1.047530 -1.204279
C -0.378506 -1.775853 0.055055
C -1.428071 -1.446507 -0.501028
H 4.679053 -0.477844 0.652553
H 3.641329 1.416453 1.665238
H 4.493774 -0.096621 -2.095520
H 5.729921 0.603931 -1.054479
H 1.914517 2.789604 0.756937
H 1.383580 1.572762 -0.410051
H 4.760440 2.480453 -2.401255
H 2.882378 3.647618 -1.358655
H -6.377790 1.903530 1.344178
H -5.495782 2.399581 -0.121774
H -3.882738 2.278495 1.785078
H -4.388340 0.602494 2.141988
H -6.277164 -0.496332 0.638034
H -6.984709 0.472060 -0.688281
H -2.975703 1.593792 -0.425606
H -2.262731 0.572089 0.870651
H -5.262387 -1.175073 -1.517867
H -4.813175 0.525903 -1.886630
H 0.656582 -2.335462 1.819906
H 1.264159 -3.105821 0.310364
H -3.108180 -1.944023 -1.676959
H -2.373650 -0.356988 -2.043360


