%chk=000077349.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000077349

0 1
 O   -5.209200     -6.9999998E-04  0.4225000    
 O    4.846500     -3.0000001E-04   1.041900    
 O  -9.3999999E-03  3.5999999E-03  -2.107500    
 N   -1.127700     -8.9999998E-04 -7.2999999E-02
 N    1.169100     -6.9999998E-04 -0.1089000    
 C   -2.472700      9.9999997E-05 -0.6046000    
 C    2.491400      3.9999999E-04 -0.6891000    
 C   -3.204000       1.250300     -0.1908000    
 C   -3.203100      -1.250400     -0.1912000    
 C    3.237400       1.250600     -0.3027000    
 C    3.236700      -1.250200     -0.3030000    
 C   -4.519900       1.180300      0.2787000    
 C   -4.519000      -1.181300      0.2783000    
 C    4.349400       1.180700      0.5430000    
 C    4.348800      -1.180800      0.5427000    
 C   7.7000000E-03  6.9999998E-04 -0.8773000    
 C   -2.583000       2.504700     -0.2867000    
 C   -2.581300      -2.504600     -0.2857000    
 C    2.817800       2.504900     -0.7705000    
 C    2.817800      -2.504300     -0.7721000    
 C   -5.209300       2.343400      0.6331000    
 C   -5.207800      -2.344600      0.6330000    
 C    5.022800       2.343900      0.9268000    
 C    5.022200      -2.344200      0.9259000    
 C   -3.269400       3.665000      7.3600002E-02
 C   -3.267000      -3.665200      7.4600004E-02
 C    3.494500       3.665200     -0.3926000    
 C    3.494400      -3.664900     -0.3945000    
 C   -4.582700       3.584300      0.5310000    
 C   -4.580600      -3.585100      0.5314000    
 C    4.595000       3.584700      0.4575000    
 C    4.594500      -3.584700      0.4563000    
 H   -2.433400      3.0000001E-04  -1.701900    
 H    2.417000      6.0000003E-04  -1.785000    
 H   -1.005400     -2.4999999E-03  0.9355000    
 H    1.081400     -2.4000001E-03  0.9033000    
 H   -1.565700       2.596800     -0.6582000    
 H   -1.563700      -2.596400     -0.6568000    
 H    1.957900       2.585000      -1.431100    
 H    1.958100      -2.584100      -1.433100    
 H   -6.232900       2.288400      0.9942000    
 H   -6.231400      -2.290000      0.9941000    
 H    5.884500       2.289000       1.586800    
 H    5.883900      -2.289600       1.586000    
 H   -2.781100       4.631800     -8.2999999E-03
 H   -2.778200      -4.631700     -6.6999998E-03
 H    3.160900       4.631600     -0.7594000    
 H    3.161000      -4.631100     -0.7621000    
 H   -5.117900       4.487500      0.8088000    
 H   -5.115300      -4.488600      0.8094000    
 H    5.120400       4.487900      0.7534000    
 H    5.119800      -4.488100      0.7519000    


%chk=000077349-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000077349

0 1
O -5.138499 -0.000295 0.803842
O 5.160335 0.003479 0.854045
O 0.024621 0.000894 -1.937565
N -1.159184 -0.002730 0.082431
N 1.194365 -0.004118 0.090625
C -2.486478 0.000766 -0.578936
C 2.526387 -0.003599 -0.561722
C -3.271448 1.264770 -0.235723
C -3.274413 -1.263440 -0.243359
C 3.308640 1.262304 -0.219748
C 3.312009 -1.265635 -0.213475
C -4.516704 1.213964 0.434613
C -4.519564 -1.213757 0.427256
C 4.544996 1.215561 0.467136
C 4.548255 -1.212124 0.473152
C 0.020217 -0.001843 -0.661071
C -2.756918 2.540126 -0.577414
C -2.762874 -2.537894 -0.592810
C 2.800129 2.535340 -0.578645
C 2.806909 -2.541852 -0.565838
C -5.227289 2.386488 0.775052
C -5.232901 -2.386654 0.760575
C 5.252315 2.390015 0.807695
C 5.258724 -2.382963 0.819594
C -3.452358 3.722023 -0.254449
C -3.461091 -3.720092 -0.277012
C 3.492560 3.719057 -0.255864
C 3.502511 -3.722074 -0.237133
C -4.692093 3.641890 0.429666
C -4.700645 -3.641190 0.407581
C 4.722985 3.643144 0.445380
C 4.732763 -3.639322 0.463639
H -2.232830 0.003633 -1.657309
H 2.279993 -0.006294 -1.641700
H -1.138066 -0.005731 1.103905
H 1.166122 -0.004267 1.111933
H -1.795533 2.589943 -1.102297
H -1.801637 -2.586736 -1.118057
H 1.845979 2.581852 -1.116902
H 1.852714 -2.593700 -1.103522
H -6.184038 2.290868 1.296982
H -6.189431 -2.291960 1.283074
H 6.202083 2.297636 1.342795
H 6.208246 -2.285320 1.354194
H -3.038539 4.696918 -0.531849
H -3.049581 -4.694257 -0.560353
H 3.083623 4.692135 -0.546572
H 3.096122 -4.697701 -0.522823
H -5.239924 4.554490 0.687821
H -5.250628 -4.554047 0.660187
H 5.268320 4.557244 0.703509
H 5.280545 -4.550644 0.726367


