%chk=000148078.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000148078

0 1
 O    3.306100      0.6199000      0.1513000    
 O   -2.150100      -3.253200     -0.2872000    
 O    2.493300      -1.497100     -0.1105000    
 N    1.049700      0.3414000     -9.5299996E-02
 N   -4.196800      -1.173600      0.4150000    
 C   -1.243400      0.7782000     -0.3947000    
 C  -0.5709000       2.080100     -0.1324000    
 C   -1.156300       1.816900      -1.490700    
 C   0.8878000       1.808900      8.9900002E-02
 C  -0.1942000     -0.2712000     -0.2773000    
 C   -2.629100      0.3250000      3.9200000E-02
 C   -2.877400      -1.028900      7.4100003E-02
 C  -0.4564000      -1.593500     -0.2576000    
 C   -3.789300       1.028500      0.3856000    
 C   -1.891900      -2.057800     -0.1837000    
 C    2.292400     -0.2889000     -2.3800001E-02
 C   -4.754500      6.9100000E-02  0.6192000    
 C   -3.977400       2.487700      0.4809000    
 C    4.631200      8.1799999E-02  0.2294000    
 C    4.932000     -0.6605000      -1.071900    
 C    5.593300       1.253200      0.4147000    
 C    4.701600     -0.8660000       1.425900    
 H   -1.006300       2.826500      0.5097000    
 H   -2.038500       2.377300      -1.772900    
 H  -0.4847000       1.638300      -2.323400    
 H    1.523800       2.340500     -0.6257000    
 H    1.197300       2.061400       1.109600    
 H   0.2937000      -2.368500     -0.1794000    
 H   -4.681900      -2.053700      0.5237000    
 H   -5.793000      0.1538000      0.9084000    
 H   -3.868000       2.964500     -0.4971000    
 H   -4.977400       2.734100      0.8545000    
 H   -3.254900       2.930900       1.172400    
 H    4.477700      -1.651500      -1.148100    
 H    6.011100     -0.8256000      -1.176200    
 H    4.596600     -8.2300000E-02  -1.940700    
 H    6.633900      0.9201000      0.4841000    
 H    5.510200       1.959300     -0.4195000    
 H    5.348400       1.816600       1.322400    
 H    4.219300     -0.4232000       2.305200    
 H    5.746100      -1.075100       1.686400    
 H    4.239200      -1.842700       1.263300    


%chk=000148078-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000148078

0 1
O 3.287157 0.515712 0.161413
O -2.331569 -3.327832 0.132501
O 2.373524 -1.625961 -0.267847
N 1.028696 0.288329 -0.004338
N -4.308383 -1.154568 0.379975
C -1.273816 0.770131 -0.215227
C -0.515803 2.105504 0.023050
C -0.970748 1.772797 -1.386147
C 0.936557 1.746792 0.332382
C -0.253000 -0.324216 -0.089433
C -2.662958 0.376285 0.095936
C -2.943240 -1.003423 0.172351
C -0.565624 -1.663500 -0.018079
C -3.905284 1.086916 0.259725
C -1.974560 -2.096174 0.072546
C 2.248779 -0.393120 -0.057933
C -4.899077 0.101265 0.438932
C -4.138851 2.578539 0.267079
C 4.738653 0.032903 0.150078
C 5.074493 -0.542621 -1.239868
C 5.504552 1.339031 0.420920
C 4.944395 -0.989948 1.284476
H -0.976247 2.927206 0.574348
H -1.843314 2.293873 -1.786650
H -0.222666 1.476168 -2.128516
H 1.662176 2.317392 -0.269309
H 1.178204 1.898821 1.400957
H 0.209126 -2.430025 0.035241
H -4.754654 -2.066468 0.478710
H -5.966513 0.226967 0.609671
H -3.882812 3.047312 -0.702725
H -5.198704 2.810984 0.470130
H -3.537584 3.084395 1.046297
H 4.503526 -1.462854 -1.438387
H 6.153210 -0.779959 -1.284557
H 4.852814 0.197103 -2.029639
H 6.589819 1.135692 0.449421
H 5.307214 2.079984 -0.372948
H 5.203011 1.773084 1.389802
H 4.638846 -0.559685 2.254741
H 6.016126 -1.253190 1.347537
H 4.366830 -1.908942 1.100183


