%chk=000043663.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000043663

0 1
 N   0.8977000     -0.1987000     -0.7197000    
 N    5.285000     -0.7192000     -0.3161000    
 C    2.989200     -1.1900000E-02 -0.8382000    
 C    1.818000      0.9628000     -0.6512000    
 C    2.019900      -1.062800     -0.2789000    
 C  -9.7000003E-02 -0.1000000      0.3569000    
 C    4.243900      0.2621000     -2.8999999E-02
 C   -1.066900      -1.275900      0.3256000    
 C  -0.7383000       1.275700      0.4143000    
 C   -2.235900      -1.363300     -0.4593000    
 C   -1.571300       1.752100     -0.6131000    
 C   -2.800100     -0.2911000      -1.368600    
 C   -1.914700      0.8768000      -1.786600    
 C  -0.7146000      -2.386900       1.130500    
 C  -0.4689000       2.114300       1.511400    
 C   -3.017900      -2.540000     -0.3784000    
 C   -2.114100       3.044300     -0.5261000    
 C   -1.496500      -3.539300       1.184300    
 C   -1.014200       3.395800       1.587800    
 C    6.486700     -0.4414000      0.4570000    
 C   -2.654400      -3.615000      0.4294000    
 C   -1.836000       3.861400      0.5680000    
 H    3.212600     -0.1640000      -1.905500    
 H    1.889300       1.503400      0.3007000    
 H    1.694600       1.691400      -1.458900    
 H    2.062300      -2.035000     -0.7811000    
 H    2.134400      -1.233200      0.7991000    
 H   0.4148000     -0.1788000       1.328900    
 H    4.013300      0.2763000       1.043500    
 H    4.614900       1.260100     -0.2936000    
 H   -3.123700     -0.7826000      -2.296800    
 H   -3.706500      0.1025000     -0.8879000    
 H   -2.457400       1.468400      -2.535700    
 H   -1.009300      0.5332000      -2.296800    
 H    4.945300      -1.650900     -7.8100003E-02
 H   0.1862000      -2.359900       1.741000    
 H   0.1749000       1.777600       2.320900    
 H   -3.934900      -2.621100     -0.9603000    
 H   -2.765200       3.421600      -1.311000    
 H   -1.199400      -4.370300       1.816700    
 H  -0.7949000       4.029200       2.442200    
 H    6.293100     -0.4892000       1.533600    
 H    6.899200      0.5423000      0.2103000    
 H    7.252300      -1.186800      0.2202000    
 H   -3.275400      -4.504700      0.4656000    
 H   -2.262600       4.858400      0.6244000    


%chk=000043663-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000043663

0 1
N 0.913549 0.170161 -0.417558
N 5.220565 -0.977021 -0.564498
C 3.034584 0.165327 -0.776064
C 1.987294 1.229061 -0.308205
C 1.963163 -0.916497 -0.391529
C -0.161902 0.153475 0.618323
C 4.386091 0.131019 -0.059084
C -0.994892 -1.133599 0.499431
C -0.965900 1.454405 0.562957
C -1.997484 -1.375699 -0.489323
C -1.673668 1.834511 -0.613986
C -2.503016 -0.385811 -1.546318
C -1.698464 0.909007 -1.816338
C -0.708130 -2.155086 1.446175
C -0.985826 2.304667 1.692817
C -2.649428 -2.640553 -0.486163
C -2.374185 3.064502 -0.623400
C -1.367686 -3.400304 1.437403
C -1.696069 3.526897 1.677404
C 6.549046 -1.084864 0.063647
C -2.349804 -3.646881 0.452534
C -2.390955 3.910814 0.509567
H 3.197071 0.199864 -1.866422
H 2.170937 1.554299 0.743213
H 1.824533 2.118597 -0.939081
H 1.775090 -1.753105 -1.084791
H 2.148325 -1.319770 0.632657
H 0.316943 0.118530 1.632028
H 4.215126 0.079146 1.049202
H 4.927014 1.080790 -0.249524
H -2.594341 -0.937708 -2.503269
H -3.537424 -0.098150 -1.262481
H -2.163410 1.428043 -2.675816
H -0.662540 0.635106 -2.086758
H 4.709389 -1.869653 -0.548833
H 0.051674 -1.957883 2.212925
H -0.440030 2.004961 2.596363
H -3.419553 -2.829898 -1.245467
H -2.915491 3.359575 -1.530952
H -1.120906 -4.162456 2.184672
H -1.702829 4.171278 2.563596
H 6.527545 -1.196879 1.176351
H 7.138806 -0.177264 -0.164790
H 7.092585 -1.948805 -0.358368
H -2.877092 -4.606932 0.418898
H -2.940805 4.858486 0.480254


