%chk=000114154.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000114154

0 1
 O    3.598100       1.013800     -0.5082000    
 N   -3.706400      0.8764000     -0.7736000    
 C   -1.049100     -0.7518000     -0.6269000    
 C   -2.186400     -0.6863000      0.3946000    
 C   -2.634500      0.7862000      0.2145000    
 C   -1.740700     -0.3693000      -2.024400    
 C  -0.5076000      -2.201300     -0.6654000    
 C   -1.813700      -1.198400       1.798300    
 C   1.4500000E-02  0.3172000     -0.1453000    
 C   -1.834300       1.686900       1.144800    
 C   -3.312000     -2.4400000E-02  -1.923800    
 C  -0.1274000      -2.742100      0.7175000    
 C   -1.281800      -2.629400       1.711900    
 C  -0.3493000       1.411400      0.7448000    
 C    1.347200      0.2256000     -0.5672000    
 C   -5.017200      0.5625000     -0.2304000    
 C   0.6310000       2.294800       1.209100    
 C    2.303900       1.129300     -9.6699998E-02
 C    1.951900       2.146600      0.7920000    
 C    4.060400     -0.2959000     -0.8307000    
 C    5.533400     -0.3558000     -0.5971000    
 C    6.120000      -1.196100      0.2625000    
 H   -2.987400      -1.375400      9.1600001E-02
 H   -2.066600       1.276400     -0.5899000    
 H   -1.631400      -1.194700      -2.738400    
 H   -1.224400      0.4905000      -2.471700    
 H   0.3470000      -2.293800      -1.343900    
 H   -1.284300      -2.860500      -1.077800    
 H   -2.700500      -1.174700       2.442700    
 H   -1.053100     -0.5893000       2.294200    
 H   -2.012100       1.474500       2.202800    
 H   -2.073600       2.742900      0.9652000    
 H   -3.622900      0.4558000      -2.858700    
 H   -3.852500     -0.9785000      -1.865000    
 H   0.7448000      -2.203700       1.106000    
 H   0.1698000      -3.793200      0.6256000    
 H   -2.092300      -3.302700       1.406400    
 H  -0.9506000      -2.960900       2.702500    
 H    1.613500     -0.5398000      -1.288100    
 H   -5.785000      0.6809000      -1.002500    
 H   -5.268600       1.257800      0.5779000    
 H   -5.085800     -0.4566000      0.1644000    
 H   0.3676000       3.110700       1.876400    
 H    2.706900       2.841300       1.151200    
 H    3.567000      -1.063100     -0.2193000    
 H    3.861400     -0.4966000      -1.889700    
 H    6.158400      0.3261000      -1.167800    
 H    7.197600      -1.191600      0.3852000    
 H    5.543700      -1.897700      0.8554000    


%chk=000114154-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000114154

0 1
O 3.727618 0.788015 0.201557
N -3.643396 0.935884 -1.010561
C -1.042573 -0.840030 -0.499002
C -2.284421 -0.638074 0.391628
C -2.535793 0.856804 -0.025480
C -1.614150 -0.497760 -1.978826
C -0.517404 -2.296979 -0.406275
C -2.099016 -1.080028 1.858357
C -0.017993 0.230101 0.077708
C -1.939821 1.769860 1.052561
C -3.160066 -0.092213 -2.060253
C -0.331902 -2.756570 1.062497
C -1.629836 -2.559076 1.888652
C -0.432890 1.357570 0.898951
C 1.367532 0.043804 -0.154549
C -5.013924 0.657774 -0.538153
C 0.564847 2.187032 1.463519
C 2.338880 0.909622 0.404934
C 1.938380 1.977734 1.238120
C 4.191150 -0.253568 -0.737770
C 5.676791 -0.077238 -0.904955
C 6.576002 -1.087664 -0.824327
H -3.107476 -1.270368 0.001885
H -1.761162 1.098121 -0.764489
H -1.503747 -1.396966 -2.618562
H -0.997664 0.291413 -2.449367
H 0.418721 -2.440574 -0.981562
H -1.275151 -2.949787 -0.888254
H -3.053806 -0.971494 2.410312
H -1.348757 -0.462561 2.384104
H -2.316909 1.607664 2.079610
H -2.045450 2.844816 0.811198
H -3.357379 0.315549 -3.070804
H -3.762470 -1.023918 -1.963859
H 0.489024 -2.178945 1.531130
H -0.028902 -3.821794 1.083029
H -2.428386 -3.209157 1.472335
H -1.464338 -2.884488 2.934069
H 1.683643 -0.802991 -0.770676
H -5.719957 0.721024 -1.386189
H -5.303687 1.425606 0.200893
H -5.139410 -0.349168 -0.063247
H 0.252245 3.037815 2.081379
H 2.700855 2.630988 1.672515
H 3.948204 -1.263198 -0.348201
H 3.669973 -0.113897 -1.710503
H 6.004210 0.946670 -1.129984
H 7.644222 -0.916956 -0.995254
H 6.272139 -2.114401 -0.584844


