%chk=000022327.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000022327

0 1
 C   -5.655700     -0.2279000     -0.2046000    
 C   -6.825700      -1.202000     -1.1300000E-02
 C   -5.936200       1.108800      0.4951000    
 C   -4.353200     -0.8411000      0.3061000    
 C   -8.149100     -0.5906000     -0.4658000    
 C   -7.261200       1.716200      3.9900001E-02
 C   -8.420400      0.7419000      0.2253000    
 C   -3.134400     -0.1150000     -0.2646000    
 C   -1.802000     -0.6453000      0.2729000    
 C  -0.5810000      6.5099999E-02 -0.3179000    
 C   0.7203000     -0.5256000      0.2316000    
 C    1.978000      0.1400000     -0.3344000    
 C    3.279200     -0.4666000      0.1958000    
 C    4.501600      0.2504000     -0.3846000    
 C    5.801800     -0.3310000      0.1752000    
 C    7.058200      0.3652000     -0.3555000    
 C    8.354500     -0.1667000      0.2600000    
 C    9.568800      0.6111000     -0.2497000    
 C    10.85650      0.1133000      0.3868000    
 H   -5.560200     -4.0899999E-02  -1.283300    
 H   -6.644100      -2.124400     -0.5759000    
 H   -6.903000      -1.486300       1.046100    
 H   -5.963700      0.9639000       1.582600    
 H   -5.140900       1.833100      0.2918000    
 H   -4.324100     -0.8259000       1.402500    
 H   -4.294600      -1.894600      4.4999998E-03
 H   -8.127700     -0.4410000      -1.552300    
 H   -8.968100      -1.287800     -0.2559000    
 H   -7.458700       2.634600      0.6043000    
 H   -7.188300       2.000300      -1.017200    
 H   -8.585100      0.5706000       1.296200    
 H   -9.340800       1.183500     -0.1729000    
 H   -3.139500     -0.2052000      -1.358100    
 H   -3.185600      0.9548000     -3.7000000E-02
 H   -1.788600     -0.5401000       1.364800    
 H   -1.734000      -1.719000      5.7500001E-02
 H  -0.6281000       1.135200     -8.3700001E-02
 H  -0.5940000     -2.8999999E-02  -1.410300    
 H   0.7274000     -0.4321000       1.324700    
 H   0.7531000      -1.598800      5.5999998E-03
 H    1.963400      6.0699999E-02  -1.428600    
 H    1.952600       1.210300     -9.4499998E-02
 H    3.294600     -0.3952000       1.290000    
 H    3.319000      -1.532100     -6.0300000E-02
 H    4.448700       1.319900     -0.1474000    
 H    4.499700      0.1602000      -1.477500    
 H    5.856200      -1.399900     -6.5399997E-02
 H    5.787100     -0.2536000       1.269600    
 H    6.979300       1.440600     -0.1523000    
 H    7.099400      0.2518000      -1.445800    
 H    8.299700     -8.5900001E-02   1.352400    
 H    8.465800      -1.230700      1.9400001E-02
 H    9.642700      0.5130000      -1.339000    
 H    9.449000       1.677800     -2.7100001E-02
 H    11.02320     -0.9443000      0.1589000    
 H    10.82720      0.2302000       1.474900    
 H    11.71140      0.6816000      7.1000000E-03


%chk=000022327-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000022327

0 1
C -5.769311 -0.229167 -0.246504
C -6.981297 -1.131193 0.108759
C -5.959592 1.179945 0.374409
C -4.436970 -0.891440 0.192671
C -8.331537 -0.493704 -0.298815
C -7.307224 1.824160 -0.032492
C -8.501721 0.910029 0.328056
C -3.162603 -0.186189 -0.325940
C -1.852710 -0.857607 0.145947
C -0.587385 -0.136086 -0.370771
C 0.734912 -0.737283 0.156433
C 1.985482 0.011527 -0.357610
C 3.316390 -0.547851 0.193292
C 4.555381 0.222935 -0.316268
C 5.892020 -0.314106 0.243038
C 7.123820 0.469882 -0.264005
C 8.463669 -0.055548 0.298819
C 9.692194 0.733497 -0.209473
C 11.027240 0.205843 0.359420
H -5.748512 -0.112166 -1.354044
H -6.865151 -2.120680 -0.377639
H -6.980573 -1.313690 1.205018
H -5.918992 1.085781 1.481174
H -5.126118 1.846514 0.080321
H -4.406284 -0.933855 1.302878
H -4.427703 -1.945554 -0.157523
H -8.374074 -0.404975 -1.404594
H -9.169824 -1.152755 0.001446
H -7.418499 2.812506 0.455372
H -7.308036 2.006454 -1.127683
H -8.563278 0.810354 1.431942
H -9.452684 1.368320 -0.007330
H -3.184634 -0.162880 -1.435985
H -3.154888 0.871261 0.006917
H -1.834485 -0.878942 1.256000
H -1.837116 -1.917161 -0.185159
H -0.638166 0.934810 -0.080916
H -0.582497 -0.155279 -1.480887
H 0.727443 -0.718518 1.266552
H 0.798656 -1.806443 -0.135714
H 2.003942 -0.025887 -1.467144
H 1.902662 1.085118 -0.085949
H 3.295604 -0.515182 1.302909
H 3.409420 -1.618836 -0.084101
H 4.452632 1.295526 -0.047752
H 4.580464 0.182814 -1.425584
H 6.000844 -1.384921 -0.029392
H 5.865792 -0.277408 1.352413
H 7.010159 1.541489 0.003994
H 7.152055 0.429509 -1.373276
H 8.437276 -0.015143 1.408086
H 8.581107 -1.126554 0.030367
H 9.718512 0.690782 -1.317676
H 9.572679 1.803752 0.056802
H 11.185117 -0.853459 0.081238
H 11.038362 0.266481 1.464230
H 11.888431 0.786671 -0.019577


