%chk=000155189.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000155189

1 1
 O   -4.690400      -2.286400     -0.7949000    
 O   -6.301500     -0.2041000      8.8200003E-02
 O    5.705900      0.5243000      2.6200000E-02
 O    4.847300      -2.117800      4.6300001E-02
 N  -0.2158000       1.728600     -5.4800000E-02
 C   -1.152500       2.879400     -0.1162000    
 C   -2.353600       2.612700      0.7708000    
 C  -0.6744000      0.4431000     -6.1999999E-02
 C   -2.138600      0.2601000     -6.0400002E-02
 C   -2.979800       1.311800      0.3570000    
 C    1.110500       1.996800     -4.6500001E-02
 C   0.2560000     -0.6098000     -3.5300002E-02
 C    2.066400      0.9827000     -2.5500000E-02
 C    1.630500     -0.3511000     -1.7899999E-02
 C   -2.751800     -0.9437000     -0.4519000    
 C   -4.370800       1.145800      0.4173000    
 C   -4.140500      -1.101400     -0.4071000    
 C   -4.948800     -5.9400000E-02  3.2699998E-02
 C    3.442700       1.263000     -1.1700000E-02
 C    2.581700      -1.385500      8.0000004E-03
 C    4.376700      0.2273000      1.2600000E-02
 C    3.946500      -1.096200      2.2900000E-02
 C   -4.860700      -3.281700      0.2120000    
 C    6.355000      0.6503000      -1.237700    
 C    5.260100      -2.588900       1.327700    
 H   -1.426200       2.993700      -1.172100    
 H  -0.6357000       3.784800      0.2183000    
 H   -3.065900       3.439400      0.6725000    
 H   -2.053300       2.543800       1.823100    
 H    1.387900       3.045800     -6.2300000E-02
 H  -8.4200002E-02  -1.642800     -1.2700000E-02
 H   -2.155200      -1.780900     -0.8076000    
 H   -4.996400       1.966600      0.7603000    
 H    3.790700       2.294400     -1.7800000E-02
 H    2.258400      -2.424900      1.4500000E-02
 H   -6.695900      0.6218000      0.4174000    
 H   -5.315900      -4.162100     -0.2499000    
 H   -5.523700      -2.920000       1.004200    
 H   -3.892500      -3.569300      0.6343000    
 H    6.292200     -0.2875000      -1.798500    
 H    7.408800      0.8815000      -1.059900    
 H    5.910500       1.465600      -1.817200    
 H    5.981500      -3.397000       1.179600    
 H    4.404100      -2.981400       1.885800    
 H    5.743700      -1.787700       1.895500    


%chk=000155189-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000155189

1 1
O -4.474561 -2.553404 -0.620627
O -6.330509 -0.460758 0.244453
O 5.797993 0.677975 -0.072719
O 4.896544 -2.117829 0.135316
N -0.216188 1.770853 0.022693
C -1.213005 2.893672 -0.055596
C -2.407367 2.612615 0.865581
C -0.694465 0.440616 0.038543
C -2.151342 0.225228 0.068478
C -3.019145 1.274143 0.494500
C 1.116855 2.060814 0.019343
C 0.259298 -0.587190 0.046957
C 2.103311 1.054398 0.019163
C 1.660443 -0.331418 0.025897
C -2.707679 -1.034721 -0.270822
C -4.401484 1.032768 0.567864
C -4.092917 -1.288568 -0.198963
C -4.955326 -0.222911 0.222988
C 3.501848 1.357950 -0.015300
C 2.640330 -1.363563 0.063176
C 4.445662 0.333640 -0.020553
C 4.006663 -1.055920 0.083645
C -5.753123 -3.173834 -0.194625
C 6.561482 0.180352 -1.255055
C 5.962960 -2.105500 1.181859
H -1.549463 2.967482 -1.106647
H -0.693638 3.825538 0.219780
H -3.139723 3.430640 0.751767
H -2.076827 2.619482 1.923396
H 1.385232 3.120546 0.009635
H -0.090784 -1.620506 0.096007
H -2.090633 -1.861576 -0.633106
H -5.072473 1.841090 0.887392
H 3.855750 2.392431 -0.070246
H 2.347073 -2.416384 0.115616
H -6.839164 0.336483 0.536862
H -5.660476 -4.219069 -0.523302
H -6.609572 -2.684586 -0.680931
H -5.864588 -3.125056 0.902237
H 6.479007 -0.915721 -1.354595
H 7.602262 0.476550 -1.064961
H 6.184936 0.675957 -2.167144
H 6.642595 -2.921144 0.899831
H 5.496336 -2.319054 2.158991
H 6.490869 -1.138809 1.210517


