%chk=000055842.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000055842

0 1
 O    5.638100      0.2813000      4.4999998E-03
 O    4.312600       2.036200     -2.3100000E-02
 N    4.499300      0.7991000     -5.2000000E-03
 C   -2.804700     -0.3620000     -2.8300000E-02
 C   -3.011400       1.032900     -2.4000001E-03
 C   -4.000200      -1.298800     -2.2900000E-02
 C   -4.392200       1.643800     -1.5000000E-02
 C   -1.476300     -0.8829000     -5.5000000E-03
 C   -5.333400     -0.6329000     -0.3588000    
 C   -5.485500      0.6699000      0.4067000    
 C  -0.3781000      1.6100001E-02 -7.7000000E-03
 C  -0.6015000       1.410900     -1.8400000E-02
 C   0.9588000     -0.4686000      2.9000000E-03
 C   -1.911100       1.899400     -1.5100000E-02
 C    1.210100      -1.858100      2.3399999E-02
 C    2.048900      0.4353000     -5.7999999E-03
 C   -1.182500      -2.263100      2.3800001E-02
 C   0.4886000       2.291400     -2.7000001E-02
 C   0.1298000      -2.741800      3.6600001E-02
 C    1.796800       1.810600     -2.2000000E-02
 C    3.361100     -6.0199998E-02  3.5000001E-03
 C    2.532600      -2.326200      3.3000000E-02
 C    3.600300      -1.432200      2.2600001E-02
 H   -3.849300      -2.103700     -0.7515000    
 H   -4.069100      -1.751600      0.9744000    
 H   -4.422200       2.511900      0.6546000    
 H   -4.595800       2.003600      -1.031600    
 H   -5.389000     -0.4348000      -1.436900    
 H   -6.156300      -1.314700     -0.1165000    
 H   -5.424400      0.4765000       1.485100    
 H   -6.469100       1.111800      0.2127000    
 H   -2.086500       2.974700     -2.0000000E-02
 H   -1.977800      -3.004800      4.1999999E-02
 H   0.3250000       3.368000     -3.6100000E-02
 H   0.2927000      -3.817500      5.7500001E-02
 H    2.477700       2.642300     -2.9500000E-02
 H    2.741800      -3.393800      4.8999999E-02
 H    4.602200      -1.853900      3.0700000E-02


%chk=000055842-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000055842

0 1
O 5.799834 0.111433 0.006101
O 4.602860 2.038051 -0.022906
N 4.665831 0.743099 -0.005073
C -2.841275 -0.352494 -0.026891
C -3.066640 1.053838 -0.020298
C -4.018238 -1.328130 -0.028594
C -4.474079 1.647040 -0.023986
C -1.494007 -0.852913 -0.006787
C -5.379466 -0.675197 -0.357480
C -5.556457 0.643557 0.420706
C -0.372430 0.057800 -0.008878
C -0.625614 1.473320 -0.018919
C 0.984990 -0.426752 0.002509
C -1.963511 1.935982 -0.016145
C 1.216064 -1.850819 0.023562
C 2.103140 0.505620 -0.005062
C -1.210668 -2.270682 0.023333
C 0.495309 2.375920 -0.022117
C 0.088612 -2.747027 0.037973
C 1.803290 1.923436 -0.018208
C 3.423591 -0.064798 0.003469
C 2.549278 -2.347007 0.032524
C 3.633552 -1.467969 0.021470
H -3.829032 -2.146389 -0.749236
H -4.080718 -1.809894 0.970316
H -4.490566 2.548689 0.617527
H -4.711303 1.997053 -1.050614
H -5.440127 -0.463331 -1.443783
H -6.192686 -1.386515 -0.121488
H -5.469017 0.446988 1.507991
H -6.561514 1.070285 0.245831
H -2.146254 3.018456 -0.009579
H -2.039513 -2.983760 0.041664
H 0.297792 3.454411 -0.028910
H 0.282868 -3.825328 0.061424
H 2.632399 2.628295 -0.023414
H 2.720505 -3.428532 0.048335
H 4.663203 -1.831636 0.027331


