%chk=000063215.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000063215

0 1
 O   -3.140600      -2.551500      0.9214000    
 N   -1.564800      0.6203000     -0.9563000    
 N    1.392200     -0.3217000     -0.4893000    
 N   -1.394000      -1.652900     -0.2599000    
 N    2.663700     -0.3591000      -1.044900    
 C   -2.827200      0.7744000     -0.3800000    
 C  -0.9272000     -0.5939000     -0.8551000    
 C   -3.405200     -0.3161000      0.2844000    
 C   0.4314000     -0.6980000      -1.502700    
 C   -2.639200      -1.593300      0.3417000    
 C   -3.524800       1.983200     -0.4472000    
 C   -4.666600     -0.2035000      0.8751000    
 C   -4.784900       2.098500      0.1419000    
 C   -5.353800       1.008100      0.8009000    
 C    3.811800     -2.9100001E-02 -0.3070000    
 C    5.030500      0.1819000     -0.9589000    
 C    3.744400      9.1499999E-02   1.084200    
 C    6.171100      0.5108000     -0.2264000    
 C    4.885000      0.4204000       1.816700    
 C    6.098300      0.6300000       1.161400    
 H   0.4696000     -3.4899998E-02  -2.375500    
 H   0.5886000      -1.729400      -1.839500    
 H   -1.148400       1.411100      -1.433100    
 H   -3.094200       2.841200     -0.9571000    
 H    1.204300      0.6367000     -0.1927000    
 H   -5.126700      -1.040100       1.392800    
 H   -5.324100       3.039900      8.7300003E-02
 H    2.755700     -0.3704000      -2.055400    
 H   -6.334800       1.103400       1.257700    
 H    5.101900      9.2299998E-02  -2.040100    
 H    2.819100     -7.1400002E-02   1.630600    
 H    7.115900      0.6739000     -0.7366000    
 H    4.829200      0.5117000       2.897600    
 H    6.986500      0.8856000       1.731700    


%chk=000063215-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000063215

0 1
O -1.541492 1.451947 2.716324
N -1.654665 0.456289 -1.250694
N 1.741916 1.820909 -0.873975
N -0.419301 1.153744 0.679248
N 3.099667 1.511148 -1.071545
C -2.874031 0.366478 -0.552601
C -0.486046 0.826257 -0.602479
C -2.863913 0.697482 0.834427
C 0.790452 0.825582 -1.425246
C -1.593119 1.128724 1.496898
C -4.071170 -0.035099 -1.197008
C -4.075325 0.617262 1.565905
C -5.260042 -0.106979 -0.448848
C -5.266660 0.218001 0.934662
C 3.772470 0.449794 -0.435780
C 5.100028 0.120640 -0.837932
C 3.161533 -0.290788 0.617741
C 5.795828 -0.924576 -0.199543
C 3.872709 -1.340017 1.239616
C 5.188729 -1.669363 0.841313
H 0.560543 1.052549 -2.486873
H 1.220773 -0.202097 -1.392541
H -1.630502 0.249911 -2.251714
H -4.068859 -0.287892 -2.263905
H 1.506714 2.038812 0.109163
H -4.041769 0.877869 2.628823
H -6.188324 -0.417348 -0.940352
H 3.587432 2.081832 -1.760014
H -6.199498 0.157327 1.504085
H 5.578075 0.688375 -1.646899
H 2.156643 -0.027903 0.968279
H 6.817923 -1.161277 -0.517991
H 3.392930 -1.896192 2.053449
H 5.733050 -2.481801 1.333708


