%chk=000101616.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000101616

0 1
 O    3.123100      0.9125000      -2.777100    
 O   -1.176800      0.7716000       1.292000    
 N   0.3482000      -1.352800     -0.3846000    
 C    1.796300      -1.666500     -0.3519000    
 C  -0.3113000      -1.892200      0.8279000    
 C    2.076600      -3.175500     -0.2379000    
 C  -0.1141000      -3.410200      0.9881000    
 C    1.365100      -3.783100      0.9670000    
 C    2.579700      -1.060500      -1.521700    
 C   -1.797000      -1.529000      0.9285000    
 C  -0.3103000      -1.736200      -1.634600    
 C    2.359400      0.4459000      -1.663400    
 C   -2.011600     -3.1099999E-02  0.8808000    
 C    2.768700       1.245700     -0.4485000    
 C   -3.293400      0.4777000      0.3096000    
 C    2.104400       2.426100     -0.1585000    
 C    3.800500      0.7832000      0.3516000    
 C   -4.422800     -0.2991000      0.4298000    
 C   -3.295600       1.703700     -0.3150000    
 C    2.482500       3.164700      0.9628000    
 C    4.178600       1.521600       1.473000    
 C    3.519500       2.712400       1.778500    
 C   -5.620600      0.1764000     -0.1042000    
 C   -4.493300       2.179300     -0.8488000    
 C   -5.655700       1.415500     -0.7434000    
 H    2.184500      -1.226500      0.5738000    
 H   0.1781000      -1.414600       1.689800    
 H    3.155000      -3.349800     -0.1379000    
 H    1.759900      -3.695200      -1.150600    
 H  -0.6406000      -3.953300      0.1938000    
 H  -0.5510000      -3.746200       1.936400    
 H    1.841100      -3.421500       1.887000    
 H    1.477200      -4.873000      0.9588000    
 H    2.301700      -1.550000      -2.465100    
 H    3.647700      -1.298000      -1.434400    
 H   -2.193400      -1.878600       1.890200    
 H   -2.365000      -2.032700      0.1398000    
 H  -0.3194000      -2.817900      -1.798700    
 H   0.1560000      -1.271100      -2.507500    
 H   -1.344600      -1.380500      -1.666400    
 H    1.309300      0.6563000      -1.894300    
 H    2.812600      0.4363000      -3.566100    
 H    1.296100       2.787200     -0.7877000    
 H    4.361300     -0.1194000      0.1387000    
 H   -4.428000      -1.256900      0.9395000    
 H   -2.396800       2.305400     -0.4090000    
 H    1.969500       4.092000       1.200500    
 H    4.990400       1.173300       2.105000    
 H    3.814900       3.288200       2.650700    
 H   -6.526800     -0.4159000     -1.8400000E-02
 H   -4.520600       3.143600      -1.347700    
 H   -6.588400       1.786200      -1.158400    


%chk=000101616-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000101616

0 1
O 2.558950 0.948433 -2.914988
O -1.373510 0.558497 2.042995
N 0.120349 -1.542234 -0.235748
C 1.611663 -1.739669 -0.283503
C -0.389814 -2.043282 1.083245
C 1.995900 -3.240912 -0.152360
C -0.100929 -3.555828 1.295237
C 1.417532 -3.836266 1.155893
C 2.267508 -1.068633 -1.507573
C -1.880400 -1.682661 1.298985
C -0.608886 -2.036749 -1.423995
C 1.942948 0.443926 -1.665590
C -2.064876 -0.159915 1.258225
C 2.495583 1.285852 -0.523099
C -3.033906 0.482448 0.305710
C 1.711313 1.511754 0.635686
C 3.806600 1.819795 -0.588326
C -4.039287 -0.243541 -0.388970
C -2.940997 1.889147 0.110695
C 2.234667 2.252090 1.720086
C 4.326704 2.565120 0.493727
C 3.544839 2.781039 1.653387
C -4.932167 0.422874 -1.256578
C -3.822766 2.551016 -0.764468
C -4.822726 1.819139 -1.451262
H 1.998797 -1.218779 0.617017
H 0.175165 -1.474417 1.850457
H 3.098539 -3.345106 -0.160551
H 1.615156 -3.803342 -1.029278
H -0.668333 -4.156793 0.555525
H -0.452218 -3.867540 2.298631
H 1.945129 -3.379618 2.018771
H 1.611844 -4.924865 1.203960
H 1.972187 -1.598851 -2.438905
H 3.365382 -1.178247 -1.416645
H -2.160987 -2.028199 2.313023
H -2.523901 -2.215997 0.580454
H -0.582286 -3.142086 -1.575646
H -0.191123 -1.567289 -2.330755
H -1.665705 -1.725128 -1.370689
H 0.841677 0.567451 -1.708478
H 2.261303 0.373395 -3.664843
H 0.694077 1.107576 0.694730
H 4.393195 1.670048 -1.499987
H -4.148920 -1.322887 -0.239440
H -2.166623 2.435166 0.659500
H 1.614507 2.415635 2.608587
H 5.338610 2.982637 0.430838
H 3.949485 3.360426 2.491522
H -5.710995 -0.143676 -1.778656
H -3.735792 3.632607 -0.914431
H -5.511661 2.333939 -2.130322


