%chk=000048859.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000048859

0 1
 O    2.988500      6.0999999E-03  -1.185200    
 O    3.649800     -0.9337000      0.9114000    
 N   -3.608200      -2.032300     -0.1770000    
 N   -2.697600       2.576400     -0.3033000    
 N   0.7353000     -0.4711000      0.6790000    
 N   -3.180600      0.2773000     -0.2457000    
 N  -0.9600000       1.074000      0.1924000    
 N   -1.424700      -1.279200      0.2565000    
 C   -3.431900      -3.267400      0.5978000    
 C   -3.225100      -3.267600     -0.8729000    
 C   -2.248900       3.653300      0.5888000    
 C   -1.783000       3.602300     -0.8206000    
 C    1.736000      0.5688000      0.8258000    
 C    4.071100     -0.4721000     -0.3778000    
 C   -2.692300     -0.9580000     -4.8900001E-02
 C   -2.257600       1.242900     -0.1090000    
 C    2.204900       1.016600     -0.5542000    
 C    2.900100      2.9200001E-02   1.648800    
 C  -0.5872000     -0.2182000      0.3674000    
 C    4.612000      -1.708000      -1.102300    
 C    5.199400      0.5606000     -0.2708000    
 H   -4.363600      -3.650300      0.9883000    
 H   -2.575000      -3.304600       1.253400    
 H   -2.219900      -3.290600      -1.266800    
 H   -4.011900      -3.650100      -1.506400    
 H   -1.576600       3.356200       1.380000    
 H   -3.043000       4.338300      0.8471000    
 H   -2.253100       4.252600      -1.543800    
 H  -0.7740000       3.282500      -1.033600    
 H    1.303400       1.417700       1.369300    
 H    1.366200       1.242600      -1.220400    
 H    2.798100       1.934600     -0.4803000    
 H    3.566100      0.8401000       1.962900    
 H    2.541700     -0.4594000       2.561700    
 H    1.014300      -1.442700      0.7544000    
 H    4.946400      -1.464200      -2.116600    
 H    5.440100      -2.166100     -0.5508000    
 H    3.827500      -2.468600      -1.196000    
 H    4.878900       1.472600      0.2412000    
 H    6.043900      0.1610000      0.3009000    
 H    5.548400      0.8647000      -1.263500    


%chk=000048859-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000048859

0 1
O 3.572036 -0.566514 -1.269030
O 3.905626 -0.638361 1.136484
N -3.309747 -2.040193 0.408857
N -2.614264 2.548378 -0.370772
N 1.047950 -0.319847 0.359642
N -3.013438 0.261369 0.014212
N -0.748732 1.177044 0.058854
N -1.101145 -1.232101 0.312645
C -3.237865 -3.362319 -0.244081
C -4.440391 -2.422631 -0.461009
C -3.750710 3.216266 0.294915
C -2.328562 3.807227 0.348464
C 2.055760 0.734616 0.217909
C 4.570100 -0.728178 -0.188345
C -2.440086 -0.971933 0.220411
C -2.108186 1.286881 -0.068566
C 2.765203 0.665505 -1.157025
C 3.126457 0.605193 1.320321
C -0.301515 -0.112237 0.237995
C 5.056989 -2.170360 -0.297634
C 5.711292 0.302740 -0.313495
H -3.337217 -4.229356 0.416269
H -2.520956 -3.478290 -1.065503
H -4.525578 -1.910733 -1.426780
H -5.388452 -2.625441 0.046618
H -4.147209 2.745274 1.202007
H -4.499747 3.660759 -0.367632
H -2.073548 4.669789 -0.275139
H -1.778454 3.732855 1.294230
H 1.527275 1.700629 0.303270
H 2.032451 0.601036 -1.975862
H 3.396556 1.567180 -1.305387
H 3.791836 1.492894 1.312376
H 2.666942 0.505513 2.315973
H 1.361726 -1.287346 0.461130
H 5.532886 -2.334979 -1.278443
H 5.783848 -2.386605 0.502715
H 4.200216 -2.855647 -0.197748
H 5.357325 1.345865 -0.252912
H 6.443473 0.141369 0.495924
H 6.217754 0.170889 -1.284657


