%chk=000039136.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000039136

0 1
 O   -1.057400      -1.489400     -0.5846000    
 O    2.845200      -1.469300       1.658400    
 N    1.769100     -0.8860000     -0.3594000    
 C    1.121500      -1.440600      -1.588600    
 C  -0.3268000      -1.001500      -1.702400    
 C    1.758400      0.4961000     -0.1691000    
 C    2.291900      -1.810400      0.6100000    
 C    1.657200       1.022000       1.118800    
 C    1.849800       1.352200      -1.266800    
 C   -2.127200     -0.7395000     -0.1708000    
 C    1.646900       2.403800       1.309300    
 C    1.839700       2.734000      -1.076200    
 C    2.123400      -3.289600      0.3490000    
 C    1.738300       3.259700      0.2119000    
 C   -2.835700      1.7999999E-02  -1.096400    
 C   -2.492500     -0.7439000       1.170500    
 C   -3.924100      0.7818000     -0.6748000    
 C   -3.580900      1.9900000E-02   1.591900    
 C   -4.296800      0.7827000      0.6692000    
 H    1.144800      -2.529200      -1.609800    
 H    1.703100      -1.122100      -2.460500    
 H  -0.7560000      -1.438100      -2.612400    
 H  -0.3874000      8.7600000E-02  -1.793400    
 H    1.525800      0.4004000       1.998300    
 H    1.955200      0.9886000      -2.284000    
 H    1.554600       2.813900       2.310800    
 H    1.915600       3.401100      -1.929900    
 H    2.666600      -3.582700     -0.5531000    
 H    1.064000      -3.549300      0.2792000    
 H    2.547700      -3.852400       1.187200    
 H    1.728300       4.335600      0.3600000    
 H   -2.600200      2.0099999E-02  -2.156200    
 H   -1.936500      -1.335600       1.892100    
 H   -4.486500       1.370100      -1.394100    
 H   -3.871000      2.0700000E-02   2.638500    
 H   -5.145200       1.376000      0.9971000    


%chk=000039136-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000039136

0 1
O -1.133431 -1.234460 -0.337438
O 2.803685 -1.150171 1.687956
N 1.814290 -0.657553 -0.371919
C 0.969145 -1.056632 -1.519711
C -0.465803 -0.518296 -1.432363
C 2.227826 0.732153 -0.319301
C 2.122268 -1.532883 0.692041
C 1.994354 1.511450 0.841389
C 2.852974 1.325984 -1.444354
C -2.459587 -0.873293 -0.029562
C 2.379595 2.868659 0.868000
C 3.227297 2.687650 -1.414695
C 1.620943 -2.972963 0.586631
C 2.991843 3.465924 -0.258590
C -3.201361 0.108389 -0.732164
C -3.041536 -1.570862 1.057567
C -4.531167 0.383310 -0.334689
C -4.366967 -1.285328 1.439523
C -5.121397 -0.306454 0.746137
H 0.937742 -2.153341 -1.596992
H 1.413775 -0.677171 -2.457748
H -0.996995 -0.709897 -2.388371
H -0.461213 0.571796 -1.232415
H 1.531028 1.049368 1.716004
H 3.073702 0.723240 -2.332720
H 2.198262 3.460826 1.771749
H 3.714299 3.133720 -2.289039
H 2.084630 -3.510117 -0.262055
H 0.524285 -3.012503 0.470246
H 1.909931 -3.483357 1.517000
H 3.287089 4.520504 -0.233313
H -2.766364 0.657196 -1.572765
H -2.443491 -2.320481 1.585203
H -5.103839 1.143561 -0.877878
H -4.811909 -1.826723 2.281742
H -6.151002 -0.086546 1.046597


