%chk=000025606.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000025606

0 1
 I   -4.271200      -2.499500      -1.098000    
 I    4.272000      -2.500200       1.097800    
 I   -5.037700       2.958100       1.524500    
 I    5.036900       2.957900      -1.524400    
 I   -9.901400     -0.3791000     -5.2400000E-02
 I    9.901500     -0.3781000      5.2299999E-02
 O   -3.119200       1.394500      -1.772900    
 O    3.118900       1.393500       1.772900    
 O   -7.759300      -2.405400      -2.224800    
 O    7.760000      -2.405200       2.224700    
 O   -8.448400       2.987100      0.1610000    
 O    8.447600       2.987700     -0.1608000    
 O   -8.553800       2.146500       2.270200    
 O    8.553200       2.147200      -2.270000    
 N   -3.629600      0.3476000      0.2640000    
 N    3.629400      0.3469000     -0.2640000    
 N   -7.727100      -3.419900     -0.1400000    
 N    7.728100      -3.419500      0.1398000    
 C   -5.035000      0.1861000      0.1912000    
 C    5.034900      0.1858000     -0.1912000    
 C   -1.354700      0.9206000     -0.3332000    
 C    1.354400      0.9191000      0.3332000    
 C   -6.945400      -1.133600     -0.4308000    
 C    6.945800      -1.133500      0.4307000    
 C   -5.561600     -0.9729000     -0.3617000    
 C    5.561800     -0.9731000      0.3616000    
 C   -5.864400       1.187600      0.6765000    
 C    5.864100       1.187600     -0.6764000    
 C   -7.248300       1.026700      0.6071000    
 C    7.248000       1.027100     -0.6070000    
 C   -2.766600      0.9206000     -0.6807000    
 C    2.766400      0.9196000      0.6806000    
 C   -7.788700     -0.1339000      5.3599998E-02
 C    7.788800     -0.1335000     -5.3500000E-02
 C  -0.3890000      0.9204000      -1.339600    
 C   0.9655000      0.9196000      -1.006400    
 C  -0.9660000      0.9201000       1.006500    
 C   0.3886000      0.9194000       1.339800    
 C   -7.512900      -2.351700      -1.011800    
 C    7.513500      -2.351400       1.011700    
 C   -8.132800       2.075800       1.116700    
 C    8.132300       2.076400      -1.116500    
 C   -8.258000      -4.694900     -0.5657000    
 C    8.259200      -4.694400      0.5655000    
 H   -3.206900     -0.2289000      0.9882000    
 H    3.206800     -0.2295000     -0.9883000    
 H  -0.6700000      0.9216000      -2.389600    
 H    1.684100      0.9474000      -1.820600    
 H   -1.684700      0.9479000       1.820600    
 H   0.6696000      0.9200000       2.389700    
 H   -7.471000      -3.316000      0.8377000    
 H    7.472000      -3.315500     -0.8379000    
 H   -8.833600      -5.122300      0.2584000    
 H   -7.419000      -5.351600     -0.8084000    
 H   -8.895700      -4.572700      -1.444700    
 H    8.897200      -4.572000       1.444100    
 H    8.834600      -5.121900     -0.2588000    
 H    7.420400      -5.351200      0.8085000    
 H   -9.040800       3.688900      0.5059000    
 H    9.039800       3.689600     -0.5056000    


%chk=000025606-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000025606

0 1
I -4.604548 -2.949727 0.142360
I 4.604775 -2.950823 -0.143218
I -5.041673 3.192723 0.321254
I 5.040220 3.191693 -0.319631
I -10.048306 -0.195220 -0.770426
I 10.047820 -0.195478 0.771134
O -3.230539 1.112099 -1.827854
O 3.230428 1.112957 1.826624
O -7.880328 -3.217163 -1.533262
O 7.881280 -3.217433 1.533055
O -8.198134 2.974465 -1.599254
O 8.195827 2.974140 1.600466
O -8.758531 2.964559 0.659889
O 8.757186 2.965061 -0.658443
N -3.727148 0.171750 0.257961
N 3.726851 0.170862 -0.258425
N -8.377244 -3.151837 0.750192
N 8.378705 -3.151477 -0.750274
C -5.133466 0.101613 0.060423
C 5.133134 0.100640 -0.060708
C -1.386522 0.663068 -0.308892
C 1.386306 0.663042 0.308040
C -7.184822 -1.269032 -0.237073
C 7.184690 -1.269651 0.236926
C -5.789765 -1.158092 -0.030443
C 5.789624 -1.158979 0.030108
C -5.931970 1.277080 -0.020387
C 5.931360 1.276211 0.020564
C -7.325837 1.196475 -0.258503
C 7.325188 1.195896 0.258965
C -2.836901 0.681480 -0.708934
C 2.836692 0.681505 0.708060
C -7.936784 -0.076020 -0.372106
C 7.936384 -0.076511 0.372318
C -0.422198 0.681869 -1.347816
C 0.952024 0.677706 -1.044444
C -0.952235 0.678727 1.043581
C 0.421987 0.682851 1.346949
C -7.843518 -2.633922 -0.411548
C 7.843679 -2.634418 0.411250
C -8.163891 2.452271 -0.310593
C 8.162903 2.451890 0.311791
C -9.068177 -4.446693 0.788357
C 9.070965 -4.445626 -0.788335
H -3.332100 -0.402623 1.007568
H 3.331752 -0.403632 -1.007917
H -0.775958 0.718242 -2.383052
H 1.678276 0.733814 -1.863524
H -1.678465 0.735630 1.862626
H 0.775754 0.719984 2.382156
H -8.310408 -2.598517 1.606575
H 8.311958 -2.597953 -1.606532
H -10.126690 -4.322724 1.081654
H -8.573647 -5.137732 1.494640
H -9.026594 -4.878029 -0.224133
H 9.029141 -4.877282 0.224008
H 10.129540 -4.320528 -1.080921
H 8.577573 -5.136965 -1.495120
H -8.751577 3.803570 -1.612744
H 8.748556 3.803715 1.614317


