%chk=000033204.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000033204

0 1
 O  -8.1799999E-02  -1.435100     -0.3597000    
 N    3.414900     -0.3169000     -3.1099999E-02
 N   -4.865300       2.695100      0.1622000    
 C    4.226700      0.6193000     -0.8079000    
 C    3.380000      8.1799999E-02   1.375400    
 C    2.059500     -0.3912000     -0.5753000    
 C    1.228800      -1.408700      0.1904000    
 C    3.609900       2.014500     -0.7671000    
 C    4.349200      0.1160000      -2.242600    
 C    2.722600       1.451300       1.520900    
 C    4.798800      9.2799999E-02   1.935500    
 C  -0.9117000      -2.370800      0.3151000    
 C   -2.304400      -2.366200     -0.3057000    
 C   -2.983500      -1.023900     -0.1817000    
 C   -3.762500     -0.7573000      0.9331000    
 C   -2.816100     -8.2400002E-02  -1.184900    
 C   -4.390300      0.4830000       1.047700    
 C   -3.443900       1.158000      -1.070200    
 C   -4.231100       1.440600      4.6000000E-02
 H    5.258400      0.6616000     -0.4443000    
 H    2.853600     -0.6600000       1.982300    
 H    2.084000     -0.7732000      -1.603100    
 H    1.479600      0.5302000     -0.6480000    
 H    1.679300      -2.406300      0.1206000    
 H    1.108300      -1.142200       1.242900    
 H    3.952400       2.517900      -1.687800    
 H    2.533600       2.142000     -0.8685000    
 H    4.068400       2.673400     -2.8400000E-02
 H    3.441600      0.2696000      -2.835800    
 H    5.149100      0.6609000      -2.759100    
 H    4.618000     -0.9460000      -2.276300    
 H    2.289000       1.425600       2.536600    
 H    3.403700       2.296000       1.642700    
 H    1.825900       1.679900      0.9458000    
 H    5.339700     -0.8267000       1.684000    
 H    4.757400      0.1462000       3.030500    
 H    5.396100      0.9525000       1.615300    
 H  -0.9705000      -2.112500       1.379400    
 H  -0.4797000      -3.374100      0.2225000    
 H   -2.923300      -3.140100      0.1647000    
 H   -2.235800      -2.631900      -1.368500    
 H   -3.890600      -1.496100       1.719000    
 H   -2.205700     -0.2921000      -2.058600    
 H   -5.000700      0.6915000       1.922700    
 H   -3.311800       1.895900      -1.857400    
 H   -5.437000       2.900300      0.9707000    
 H   -4.751000       3.389300     -0.5643000    


%chk=000033204-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000033204

0 1
O -0.111943 -1.005379 -0.821955
N 3.306823 0.240420 0.059304
N -5.676472 1.959898 1.581273
C 4.535071 0.255070 -0.776260
C 3.299376 0.982210 1.348538
C 2.006044 0.161877 -0.630691
C 1.198831 -1.063298 -0.163992
C 4.590677 1.372135 -1.862338
C 4.766531 -1.132132 -1.426664
C 3.520491 2.518613 1.219994
C 4.284689 0.370284 2.372955
C -0.960464 -2.159039 -0.489151
C -2.347528 -1.943977 -1.123167
C -3.218527 -0.914326 -0.415987
C -4.436951 -1.290692 0.204027
C -2.844538 0.454892 -0.348806
C -5.255598 -0.352513 0.867316
C -3.649973 1.404750 0.308481
C -4.872938 1.017025 0.929751
H 5.376081 0.434088 -0.078330
H 2.279286 0.835223 1.758687
H 2.151880 0.081049 -1.722788
H 1.384717 1.070269 -0.466325
H 1.735850 -1.997741 -0.438234
H 1.072673 -1.050375 0.941720
H 5.570616 1.356493 -2.376190
H 3.811987 1.223491 -2.634037
H 4.448798 2.373462 -1.421648
H 3.945262 -1.382698 -2.124928
H 5.711467 -1.147651 -2.002059
H 4.807065 -1.915912 -0.650500
H 3.343300 3.019330 2.190765
H 4.556829 2.747258 0.909484
H 2.829247 2.957925 0.477151
H 4.095642 -0.711544 2.484743
H 4.168575 0.857258 3.359184
H 5.337172 0.506120 2.061001
H -1.045151 -2.262365 0.615264
H -0.491572 -3.084784 -0.894003
H -2.869601 -2.920469 -1.134737
H -2.178685 -1.659405 -2.180844
H -4.757059 -2.340364 0.167508
H -1.901558 0.765268 -0.810679
H -6.193811 -0.677073 1.335342
H -3.336806 2.456435 0.343199
H -6.551074 1.685662 2.017706
H -5.402931 2.936735 1.620621


