%chk=000176851.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000176851

0 1
 O    1.568800     -0.8416000      0.1431000    
 O    3.239600     -0.5749000      -1.410000    
 O   -3.452800     -0.3911000       1.443300    
 N    3.501800      7.0799999E-02  0.8016000    
 N   0.3499000      0.3094000      -2.815000    
 C    4.861400      0.5756000      0.7075000    
 C    4.922100       1.755500     -0.2919000    
 C    5.285100       1.081400       2.095600    
 C    5.797100     -0.5665000      0.2878000    
 C    4.018600       2.936000      4.8799999E-02
 C    2.815300     -0.4580000     -0.2651000    
 C   0.7304000      -1.415400     -0.8662000    
 C  -0.5717000      -1.856200     -0.2389000    
 C   -1.413000     -0.9057000      0.3156000    
 C  -0.8986000      -3.202100     -0.2313000    
 C   -2.615200      -1.312700      0.8940000    
 C   -2.100800      -3.609000      0.3473000    
 C   -2.959000      -2.664400      0.9100000    
 C   0.5161000     -0.4511000      -1.954400    
 C   -3.693500      0.7685000      0.7256000    
 C   -3.959400      0.6797000     -0.6288000    
 C   -3.661600       1.985600       1.381800    
 C   -4.201900       1.847700      -1.351600    
 C   -3.904200       3.153700      0.6589000    
 C   -4.174400       3.084800     -0.7078000    
 H    4.674400       1.417800      -1.304500    
 H    5.955100       2.123200     -0.3515000    
 H    4.574000       1.804000       2.510100    
 H    5.333700      0.2525000       2.812500    
 H    6.274600       1.551000       2.065800    
 H    5.693100      -1.430900      0.9539000    
 H    5.603100     -0.9129000     -0.7321000    
 H    6.844000     -0.2433000      0.3209000    
 H    3.025300      0.1053000       1.698100    
 H    2.971400       2.633700      0.1415000    
 H    4.324900       3.428800      0.9757000    
 H    4.076400       3.685000     -0.7483000    
 H    1.249600      -2.295900      -1.267900    
 H   -1.119200      0.1408000      0.3237000    
 H  -0.2395000      -3.948200     -0.6657000    
 H   -2.368800      -4.661500      0.3596000    
 H   -3.894200      -2.987500       1.358900    
 H   -4.009700     -0.2726000      -1.148500    
 H   -3.451000       2.040800       2.445600    
 H   -4.417300       1.793800      -2.414700    
 H   -3.882700       4.116800       1.160300    
 H   -4.364400       3.994200      -1.270300    


%chk=000176851-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000176851

0 1
O 1.584007 0.700769 -0.503566
O 3.167277 -0.973173 -1.060337
O -3.560092 -0.705426 1.276778
N 3.614386 0.732494 0.513774
N -0.542740 1.942185 -2.858840
C 5.012653 0.367109 0.912217
C 5.958453 0.398802 -0.329798
C 5.437626 1.405355 1.977903
C 5.017945 -1.055556 1.530972
C 6.039044 1.749800 -1.069881
C 2.858859 0.051442 -0.394960
C 0.631611 0.015746 -1.438306
C -0.345956 -0.860833 -0.664964
C -1.530943 -0.319517 -0.113045
C -0.022120 -2.226471 -0.473700
C -2.392423 -1.160974 0.625175
C -0.889782 -3.049078 0.278986
C -2.078221 -2.524642 0.827676
C -0.016327 1.088458 -2.214455
C -4.295649 0.415108 0.801038
C -4.514180 0.660788 -0.574266
C -4.895115 1.220740 1.792887
C -5.334597 1.747388 -0.951118
C -5.718918 2.298389 1.400306
C -5.937995 2.569605 0.029048
H 5.619660 -0.385546 -1.031559
H 6.966790 0.102094 0.020261
H 5.384250 2.438864 1.590391
H 4.795660 1.332809 2.875528
H 6.478553 1.214911 2.290521
H 4.355498 -1.100468 2.414108
H 4.673674 -1.800001 0.793601
H 6.041393 -1.324750 1.848865
H 3.176860 1.547817 0.947647
H 5.038215 2.086769 -1.396292
H 6.481742 2.545851 -0.443750
H 6.667621 1.652997 -1.973424
H 1.242899 -0.615348 -2.114385
H -1.772574 0.739299 -0.252117
H 0.904321 -2.629123 -0.896984
H -0.644846 -4.105216 0.432156
H -2.767395 -3.144634 1.408554
H -4.063437 0.016560 -1.335430
H -4.711619 0.991123 2.846747
H -5.503049 1.945838 -2.015077
H -6.185694 2.926943 2.166531
H -6.572427 3.409606 -0.272416


