%chk=000031923.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000031923

0 1
 N   0.5549000       2.451500      0.1499000    
 N   -1.594000      0.7043000     -0.8485000    
 N    3.859700     -0.3242000      5.0299998E-02
 C  -0.2478000       2.814900      -1.029000    
 C  -0.2604000       1.635000       1.063600    
 C   -1.337900       3.801500     -0.5570000    
 C   -1.350700       2.555700       1.653900    
 C  -0.8304000       1.575900      -1.747100    
 C  -0.8436000      0.3825000      0.3697000    
 C   -2.192400       3.276500      0.5988000    
 C    1.830500       1.830700     -0.1924000    
 C    2.705100       1.601100       1.042100    
 C   -2.045300     -0.5036000      -1.532300    
 C    4.056600      0.9679000      0.7066000    
 C   -2.947100      -1.337400     -0.6616000    
 C    5.147900     -0.8810000     -0.3857000    
 C    3.155000      -1.253200      0.9449000    
 C    4.955300      -2.209800      -1.117900    
 C    2.897000      -2.594200      0.2561000    
 C    4.192400      -3.211500     -0.2583000    
 C   -2.395300      -2.313700      0.1563000    
 C   -4.317200      -1.117900     -0.6886000    
 C   -3.230700      -3.086200      0.9632000    
 C   -5.152500      -1.890400      0.1186000    
 C   -4.609100      -2.874500      0.9444000    
 H   0.3788000       3.361200      -1.746400    
 H   0.3031000       1.297800       1.936700    
 H   -1.986900       4.079900      -1.395800    
 H  -0.8481000       4.728100     -0.2272000    
 H  -0.8629000       3.315200       2.280300    
 H   -2.010200       1.986700       2.320200    
 H  -1.5400000E-02   1.014200      -2.221800    
 H   -1.484900       1.920100      -2.557900    
 H  -3.0800000E-02 -0.3210000      0.1500000    
 H   -1.494500     -8.7800004E-02   1.113900    
 H   -2.964700       2.601500      0.2140000    
 H   -2.734800       4.108100       1.064300    
 H    2.379300       2.496100     -0.8714000    
 H    1.683400      0.8907000     -0.7332000    
 H    2.223600       1.028600       1.835000    
 H    2.910400       2.580800       1.496800    
 H   -2.597300     -0.2335000      -2.442700    
 H   -1.195400      -1.111600      -1.873000    
 H    4.655200      0.8684000       1.621300    
 H    4.599900       1.647000      3.7400000E-02
 H    5.820200      -1.026700      0.4701000    
 H    5.641300     -0.1827000      -1.072600    
 H    2.166400     -0.8838000       1.229200    
 H    3.724800      -1.416800       1.869100    
 H    5.931100      -2.626200      -1.392500    
 H    4.406300      -2.037900      -2.052500    
 H    2.412600      -3.284000      0.9566000    
 H    2.202500      -2.449500     -0.5817000    
 H    4.816300      -3.514500      0.5916000    
 H    3.974700      -4.115600     -0.8373000    
 H   -1.325200      -2.500000      0.1722000    
 H   -4.750800     -0.3524000      -1.326100    
 H   -2.807900      -3.854400       1.604100    
 H   -6.225900      -1.725300      0.1045000    
 H   -5.259400      -3.476300       1.572400    


%chk=000031923-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000031923

0 1
N 0.499627 2.239178 0.103748
N -1.770644 0.591411 -0.846217
N 4.168134 -0.285555 0.105551
C -0.376765 2.686391 -1.019503
C -0.327017 1.428706 1.050711
C -1.400071 3.706284 -0.456775
C -1.346327 2.379671 1.732848
C -1.016690 1.480693 -1.766846
C -0.970642 0.199738 0.343617
C -2.237254 3.137785 0.716582
C 1.791092 1.622515 -0.300749
C 2.872452 1.795365 0.787488
C -2.336482 -0.578941 -1.552303
C 4.228398 1.173304 0.389214
C -3.416496 -1.310749 -0.759591
C 5.384562 -0.752759 -0.608156
C 3.916997 -1.099348 1.321656
C 5.255516 -2.231135 -1.026390
C 3.742908 -2.591538 0.970213
C 4.975252 -3.123386 0.203804
C -3.513790 -2.722986 -0.813054
C -4.372799 -0.589753 -0.000364
C -4.549505 -3.403601 -0.131749
C -5.405383 -1.265648 0.685688
C -5.500226 -2.676361 0.620372
H 0.262180 3.217422 -1.752709
H 0.342652 1.031017 1.837691
H -2.068549 4.053821 -1.269283
H -0.819247 4.581444 -0.105950
H -0.759010 3.108751 2.324325
H -1.978504 1.807100 2.440135
H -0.198027 0.921025 -2.292985
H -1.712639 1.849139 -2.546370
H -0.157237 -0.517332 0.052649
H -1.630922 -0.335496 1.050822
H -2.993693 2.443275 0.313746
H -2.772231 3.961740 1.229126
H 2.133076 2.138946 -1.220290
H 1.717939 0.542347 -0.558826
H 2.518855 1.366367 1.745190
H 3.019314 2.876444 0.974180
H -2.777143 -0.203177 -2.498924
H -1.538648 -1.311852 -1.844291
H 4.983097 1.400921 1.187858
H 4.586020 1.670129 -0.535063
H 6.300560 -0.633984 0.032924
H 5.526058 -0.116537 -1.502308
H 3.003883 -0.725771 1.818582
H 4.761739 -0.989656 2.055637
H 6.182838 -2.551334 -1.539726
H 4.421122 -2.324139 -1.748511
H 3.579500 -3.170705 1.899639
H 2.838485 -2.704558 0.341023
H 5.858767 -3.110359 0.875743
H 4.818784 -4.174556 -0.104352
H -2.773928 -3.293575 -1.389016
H -4.285385 0.501384 0.049080
H -4.610710 -4.496838 -0.183254
H -6.136925 -0.694863 1.269535
H -6.302118 -3.201519 1.151776


