%chk=000031948.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000031948

0 1
 N   -4.129000      -1.067100      0.2360000    
 C   0.1163000     -0.2885000     -0.4875000    
 C   -1.289100     -0.9210000     -0.4924000    
 C   -2.346500     -3.3500001E-02  -1.165900    
 C   0.1894000       1.066000      0.2106000    
 C    1.213300      -1.207700      4.1000001E-02
 C    1.015500       2.101600     -0.2828000    
 C    2.506600      -1.209400     -0.5296000    
 C   -3.733500     -0.7064000      -1.121700    
 C    1.822500       1.980300      -1.556600    
 C    2.881900     -0.3708000      -1.731600    
 C    3.086400       1.120100      -1.435700    
 C   -1.990200      0.2796000      -2.623600    
 C  -0.5093000       1.280300       1.415700    
 C   0.9759000      -2.017700       1.169600    
 C    1.100500       3.312700      0.4326000    
 C    3.505100      -2.028700      3.3599999E-02
 C  -0.4163000       2.488900       2.105900    
 C    1.976600      -2.826000       1.709100    
 C   0.3884000       3.506400       1.613800    
 C    3.242000      -2.832600       1.140100    
 C   -5.424700      -1.747500      0.2303000    
 C   -4.182000      0.1208000       1.089100    
 H   0.3277000     -0.1447000      -1.547500    
 H   -1.240100      -1.882100      -1.024300    
 H   -1.604000      -1.169200      0.5249000    
 H   -2.410400      0.9371000     -0.6631000    
 H   -4.478000     -4.1099999E-02  -1.580200    
 H   -3.698100      -1.613800      -1.739400    
 H    1.186100       1.648200      -2.384300    
 H    2.141600       2.988600      -1.855400    
 H    3.830000     -0.7558000      -2.132900    
 H    2.166800     -0.5284000      -2.547300    
 H    3.785800       1.492000      -2.197100    
 H    3.577700       1.269400     -0.4664000    
 H   -1.135700      0.9573000      -2.697300    
 H   -2.825500      0.7780000      -3.128300    
 H   -1.758500     -0.6333000      -3.182600    
 H   -1.099000      0.4883000       1.866000    
 H   8.1000002E-03  -2.021900       1.662800    
 H    1.731600       4.121200      6.9700003E-02
 H    4.506700      -2.043800     -0.3910000    
 H  -0.9601000       2.625800       3.035800    
 H    1.767000      -3.441900       2.578600    
 H   0.4693000       4.446800       2.150500    
 H    4.025800      -3.456600       1.558700    
 H   -5.379500      -2.656800     -0.3793000    
 H   -6.226200      -1.109500     -0.1597000    
 H   -5.697600      -2.064300       1.243100    
 H   -4.556500     -0.1479000       2.084300    
 H   -4.847400      0.8914000      0.6821000    
 H   -3.204700      0.5646000       1.265200    


%chk=000031948-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000031948

0 1
N -4.093300 -0.679291 0.365363
C 0.156446 -0.294620 -0.593169
C -1.235735 -0.977892 -0.673114
C -2.326260 -0.131319 -1.377752
C 0.174123 1.003114 0.237667
C 1.252380 -1.229133 -0.045120
C 1.012308 2.097222 -0.138222
C 2.581192 -1.183853 -0.567613
C -3.730025 -0.717966 -1.073576
C 1.848626 2.102905 -1.415538
C 2.985730 -0.281903 -1.730396
C 3.147127 1.237591 -1.415121
C -2.117947 -0.049485 -2.908030
C -0.586419 1.099904 1.430894
C 0.969738 -2.104466 1.034158
C 1.060152 3.241692 0.700492
C 3.571971 -2.020579 0.009821
C -0.525515 2.242581 2.256222
C 1.965988 -2.926704 1.601316
C 0.308334 3.322803 1.892339
C 3.280622 -2.884281 1.087452
C -5.157946 -1.646955 0.702448
C -4.426449 0.680840 0.838506
H 0.440253 -0.030086 -1.628205
H -1.116529 -1.939098 -1.215341
H -1.621127 -1.231434 0.331254
H -2.280478 0.899852 -0.972363
H -4.493975 -0.185395 -1.699185
H -3.739017 -1.779706 -1.393403
H 1.231606 1.804353 -2.288421
H 2.153707 3.149366 -1.607569
H 3.960920 -0.643549 -2.108744
H 2.275665 -0.389037 -2.576186
H 3.812171 1.658378 -2.196460
H 3.674381 1.361770 -0.450179
H -1.137368 0.392720 -3.162982
H -2.896227 0.575564 -3.385283
H -2.161917 -1.056379 -3.367508
H -1.241120 0.270455 1.720269
H -0.045768 -2.143860 1.442130
H 1.698416 4.084875 0.407025
H 4.590214 -1.992093 -0.398677
H -1.122142 2.287486 3.174563
H 1.718456 -3.591688 2.436576
H 0.367325 4.217784 2.521983
H 4.066238 -3.517375 1.515152
H -4.841859 -2.665441 0.414435
H -6.133573 -1.431075 0.195868
H -5.335982 -1.639227 1.793319
H -4.639218 0.652703 1.922484
H -5.320918 1.114161 0.321083
H -3.574575 1.363169 0.680936


