%chk=000021145.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000021145

2 1
 N   -3.602400      0.4449000      0.3918000    
 N    3.591600     -0.4168000      0.4096000    
 C   -2.880500     -0.6036000       1.225900    
 C    2.899900      0.6251000       1.211300    
 C   -2.010700      -1.491500      0.3253000    
 C    2.005300       1.486700      0.2903000    
 C  -0.9565000     -0.7119000     -0.4435000    
 C   0.9645000      0.7127000     -0.4460000    
 C  -3.5000001E-03 -2.0000001E-03  0.2598000    
 C   -4.425000     -0.2438000     -0.6876000    
 C   -4.523000       1.260200       1.288400    
 C   -2.581300       1.366600     -0.2592000    
 C    4.424500      0.2220000     -0.7096000    
 C    4.533200      -1.246100       1.292800    
 C    2.576600      -1.370300     -0.2346000    
 C   -1.356900      -2.601800       1.156200    
 C    1.378900       2.624600       1.123800    
 C  -0.9809000     -0.7362000      -1.824100    
 C   0.9596000      0.7027000      -1.840900    
 C  -1.3100000E-02 -2.1600001E-02  -2.529900    
 H   -2.300800     -7.6700002E-02   1.993500    
 H   -3.648000      -1.202900       1.731400    
 H    2.325400      0.1251000       2.000700    
 H    3.666700       1.246300       1.691200    
 H   -2.646800      -2.031900     -0.3853000    
 H    2.638500       2.017300     -0.4309000    
 H  -2.3000001E-03  3.5999999E-03   1.345800    
 H   -5.035100      -1.022400     -0.2197000    
 H   -5.077200      0.5098000      -1.141700    
 H   -3.788000     -0.6569000      -1.469200    
 H   -3.911700       1.761400       2.044800    
 H   -5.054300       1.995400      0.6763000    
 H   -5.236000      0.5786000       1.761800    
 H   -1.788200       1.622600      0.4420000    
 H   -2.342000       1.075200      -1.274400    
 H   -3.106800       2.319400     -0.4205000    
 H    3.784400      0.6320000      -1.490200    
 H    5.057500      0.9971000     -0.2673000    
 H    5.049700     -0.5610000      -1.151200    
 H    3.930500      -1.739800       2.060800    
 H    5.048200      -1.984500      0.6710000    
 H    5.256200     -0.5648000       1.750800    
 H    1.787000      -1.619600      0.4730000    
 H    2.331800      -1.091900      -1.252000    
 H    3.112800      -2.318900     -0.3829000    
 H   -2.121700      -3.232800       1.622600    
 H  -0.7299000      -3.246000      0.5292000    
 H  -0.7267000      -2.201900       1.958100    
 H   0.7502000       3.267300      0.4973000    
 H   0.7559000       2.239500       1.938500    
 H    2.160200       3.250300       1.569000    
 H   -1.722500      -1.306000      -2.375000    
 H    1.697000       1.262100      -2.409700    
 H  -1.6700000E-02 -2.9700000E-02  -3.615900    


%chk=000021145-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000021145

2 1
N -4.105233 0.551461 0.407872
N 4.110220 -0.547185 0.397961
C -3.094360 -0.407988 1.107521
C 3.101908 0.424760 1.083568
C -2.212401 -1.328367 0.219853
C 2.216732 1.329060 0.182909
C -1.070647 -0.629810 -0.534244
C 1.069956 0.618003 -0.551579
C 0.002203 -0.000520 0.151179
C -4.961551 -0.194413 -0.614800
C -5.027601 1.113273 1.497505
C -3.394840 1.719786 -0.276823
C 4.970414 0.182699 -0.633112
C 5.029386 -1.097364 1.496165
C 3.397701 -1.722467 -0.272501
C -1.665630 -2.453686 1.150585
C 1.675850 2.472152 1.095350
C -1.052897 -0.647911 -1.953207
C 1.041931 0.614432 -1.970483
C -0.008043 -0.022134 -2.668133
H -2.470329 0.239030 1.749827
H -3.718104 -1.042307 1.762568
H 2.480152 -0.210332 1.739920
H 3.728059 1.070542 1.724977
H -2.859435 -1.828797 -0.524769
H 2.860341 1.814024 -0.574751
H 0.006092 0.008071 1.250003
H -5.374567 -1.103278 -0.150994
H -5.784299 0.464459 -0.932712
H -4.349558 -0.458964 -1.488237
H -4.414646 1.566340 2.291511
H -5.684581 1.876372 1.053251
H -5.635761 0.296179 1.914028
H -2.847187 2.298647 0.482474
H -2.694665 1.333963 -1.029618
H -4.151330 2.359521 -0.757120
H 4.360391 0.438753 -1.510430
H 5.386364 1.095684 -0.180108
H 5.791003 -0.483055 -0.942114
H 4.414145 -1.541199 2.293618
H 5.686989 -1.865908 1.062326
H 5.637092 -0.276120 1.905100
H 2.843577 -2.287321 0.492624
H 2.702858 -1.345385 -1.034635
H 4.153736 -2.372635 -0.739362
H -2.487078 -3.056062 1.577324
H -1.015448 -3.132893 0.574727
H -1.074326 -2.043187 1.989309
H 1.023391 3.141461 0.510580
H 1.088334 2.077225 1.944148
H 2.500072 3.081167 1.507079
H -1.848468 -1.163238 -2.505566
H 1.833708 1.121128 -2.536150
H -0.012022 -0.030468 -3.762715


