%chk=000147970.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000147970

0 1
 O   -5.011700      0.6100000      0.5906000    
 O   -5.723200       4.054000     -0.3388000    
 N    5.491300      0.4911000     -8.5600004E-02
 N   9.0999998E-02 -0.8403000      0.5506000    
 N  -0.5235000     -0.6614000     -0.5273000    
 N   -5.923100      -2.006700      0.1013000    
 C    6.452400     -0.5141000     -0.4941000    
 C    5.948600       1.843000      0.1678000    
 C    4.131300      0.1550000      7.6099999E-02
 C    3.216700       1.126500      0.4825000    
 C    3.700500      -1.148200     -0.1719000    
 C    6.873800      -1.349400      0.6996000    
 C    5.660700       2.725300      -1.031700    
 C    1.871100      0.7948000      0.6411000    
 C    2.354900      -1.479900     -1.3500000E-02
 C    1.440200     -0.5084000      0.3929000    
 C   -4.133200     -0.3536000      0.1935000    
 C   -1.879400     -0.9953000     -0.3685000    
 C   -4.563900      -1.656900     -5.4499999E-02
 C   -2.787600     -2.1900000E-02  3.6200002E-02
 C   -2.303400      -2.297000     -0.6173000    
 C   -3.649000      -2.628700     -0.4599000    
 C   -4.717200       1.951800      0.2084000    
 C   -6.017300       2.710100      2.2600001E-02
 H    6.091100      -1.135700      -1.320900    
 H    7.348800     -2.5300000E-02 -0.8980000    
 H    7.034000       1.841700      0.3334000    
 H    5.536800       2.263100       1.092300    
 H    3.485700       2.155100      0.6947000    
 H    4.357900      -1.948500     -0.4921000    
 H    7.312200     -0.7193000       1.481500    
 H    6.042500      -1.898400       1.150200    
 H    7.630400      -2.080800      0.3971000    
 H    6.042100       3.736000     -0.8537000    
 H    4.593700       2.807700      -1.255800    
 H    6.154200       2.335800      -1.929200    
 H    1.165300       1.557900      0.9594000    
 H    2.027800      -2.498000     -0.2091000    
 H   -2.409900      0.9740000      0.2501000    
 H   -1.597200      -3.059800     -0.9342000    
 H   -3.971500      -3.648000     -0.6564000    
 H   -4.166900       2.006900     -0.7405000    
 H   -4.110100       2.428900      0.9870000    
 H   -6.623900       2.256600     -0.7679000    
 H   -6.617400       2.705200      0.9385000    
 H   -6.228100      -2.953300     -8.1900001E-02
 H   -6.591900      -1.306000      0.3923000    
 H   -5.213900       4.448500      0.3897000    


%chk=000147970-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000147970

0 1
O -5.488950 0.632147 0.075026
O -6.355606 4.233656 0.411367
N 5.700149 0.437214 -0.089989
N 0.261480 -1.257895 -0.155413
N -0.682812 -0.340728 -0.074703
N -6.107865 -1.956501 -0.157890
C 6.792391 -0.539275 -0.274555
C 6.097416 1.845695 0.110979
C 4.356925 0.045230 -0.101896
C 3.295622 1.013860 -0.030276
C 3.979706 -1.336072 -0.188169
C 7.233754 -1.230421 1.037925
C 6.122011 2.675689 -1.194755
C 1.951593 0.626232 -0.040107
C 2.629397 -1.713719 -0.205568
C 1.586727 -0.750310 -0.130146
C -4.385047 -0.249436 -0.022465
C -2.010297 -0.850435 -0.104278
C -4.759174 -1.627199 -0.142807
C -3.038503 0.133148 -0.005621
C -2.370632 -2.222880 -0.222016
C -3.722834 -2.598494 -0.241169
C -5.195680 2.062506 0.214336
C -6.548832 2.781275 0.306991
H 6.489564 -1.295144 -1.022502
H 7.654374 -0.001991 -0.713232
H 7.105590 1.849451 0.566947
H 5.425323 2.317434 0.851457
H 3.529725 2.081401 0.018580
H 4.742298 -2.118605 -0.227348
H 7.583256 -0.484423 1.774535
H 6.397734 -1.788705 1.493587
H 8.061793 -1.937785 0.844987
H 6.437058 3.715490 -0.987658
H 5.124904 2.701385 -1.667190
H 6.829992 2.240503 -1.923160
H 1.152300 1.372521 0.010724
H 2.347320 -2.770378 -0.269808
H -2.727029 1.178438 0.079931
H -1.571989 -2.966457 -0.296918
H -3.999127 -3.656212 -0.333842
H -4.626095 2.429742 -0.661994
H -4.590291 2.234670 1.130641
H -7.122826 2.634350 -0.621038
H -7.136141 2.378023 1.157167
H -6.411448 -2.920668 -0.249565
H -6.796530 -1.211646 -0.091058
H -5.948997 4.449421 1.288554


