%chk=000049819.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000049819

0 1
 O  -0.2175000      0.7057000       2.015500    
 N    1.812400       1.224400      0.2309000    
 C   -2.570200      0.8766000     -0.2026000    
 C   -2.187700      -1.352800      0.4697000    
 C   -3.841900      0.5120000     -0.6881000    
 C   -3.459500      -1.717400     -1.5900001E-02
 C   -1.717000     -5.2200001E-02  0.3735000    
 C   -2.302500       2.327000     -0.4598000    
 C   -1.466500      -2.548200       1.010700    
 C   -4.527100       1.689400      -1.309900    
 C   -3.690800      -3.186000      0.1604000    
 C   -3.722800       2.853500     -0.7133000    
 C   -2.627700      -3.532600       1.213200    
 C   -4.303000     -0.7934000     -0.6134000    
 C  -0.3910000      0.3164000      0.8416000    
 C   0.8073000      0.2257000     -0.1167000    
 C    2.981600       1.103300     -0.6413000    
 C    1.250000       2.572900      0.1427000    
 C    3.589100     -0.2682000     -0.5795000    
 C    4.580500     -0.5396000      0.3562000    
 C    3.153900      -1.253400      -1.458400    
 C    2.235100       3.579000      0.5513000    
 C    5.144900      -1.813800      0.4138000    
 C    3.718200      -2.527600      -1.400600    
 C    4.713700      -2.807800     -0.4645000    
 C    3.038100       4.407000      0.8847000    
 H   -1.857100       2.835100      0.3986000    
 H   -1.671900       2.446000      -1.346400    
 H  -0.7537000      -2.925300      0.2701000    
 H  -0.9545000      -2.344100       1.955200    
 H   -4.422500       1.653300      -2.399100    
 H   -5.583700       1.752300      -1.035400    
 H   -4.698100      -3.411200      0.5217000    
 H   -3.501800      -3.712300     -0.7808000    
 H   -3.731000       3.739300      -1.356200    
 H   -4.173700       3.146500      0.2453000    
 H   -3.053500      -3.383700       2.215300    
 H   -2.305200      -4.576700       1.152800    
 H   -5.271300      -1.078200      -1.007000    
 H   0.4533000      0.3389000      -1.148700    
 H    1.160700     -0.7981000      3.7000000E-02
 H    3.770400       1.814300     -0.3659000    
 H    2.724800       1.338400      -1.684500    
 H   0.9032000       2.790300     -0.8758000    
 H   0.3931000       2.706300      0.8073000    
 H    4.922800      0.2258000       1.047200    
 H    2.389300      -1.047900      -2.202500    
 H    5.919600      -2.032300       1.143000    
 H    3.384600      -3.301000      -2.086300    
 H    5.153400      -3.799900     -0.4199000    
 H    3.750900       5.140900       1.180300    


%chk=000049819-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000049819

0 1
O 0.229657 -0.514240 2.131208
N 1.963397 1.176948 0.725437
C -2.121357 -0.249443 -0.750720
C -2.465745 -1.119608 1.513893
C -3.393239 -0.769404 -1.118332
C -3.741124 -1.607892 1.126379
C -1.610367 -0.450839 0.576036
C -1.494990 0.424712 -1.978975
C -2.226371 -1.440423 2.986872
C -3.692213 -0.520186 -2.589320
C -4.436921 -2.302345 2.288779
C -2.687147 0.602030 -2.966348
C -3.645582 -1.791273 3.528290
C -4.205276 -1.455913 -0.193904
C -0.233054 -0.058983 1.040992
C 0.619720 0.907341 0.198803
C 2.859684 1.765762 -0.299432
C 1.949158 1.914141 2.017533
C 3.204840 0.779022 -1.411206
C 3.443468 -0.585925 -1.106479
C 3.338850 1.216082 -2.752240
C 3.288726 2.098979 2.604347
C 3.815940 -1.492031 -2.123342
C 3.716299 0.310890 -3.771647
C 3.956615 -1.047098 -3.459809
C 4.386634 2.281545 3.134926
H -1.016792 1.393120 -1.760046
H -0.713483 -0.228243 -2.421189
H -1.529974 -2.297047 3.074556
H -1.742280 -0.616544 3.536026
H -3.495885 -1.439501 -3.178581
H -4.743774 -0.236622 -2.775622
H -5.517524 -2.077263 2.342034
H -4.340605 -3.403049 2.186943
H -2.368982 0.561745 -4.022347
H -3.157351 1.588355 -2.793977
H -4.126908 -0.875320 3.919958
H -3.613273 -2.529008 4.348695
H -5.181355 -1.854299 -0.496279
H 0.019409 1.846224 0.050608
H 0.743416 0.462331 -0.804068
H 3.788931 2.059692 0.225051
H 2.437297 2.700323 -0.750201
H 1.469546 2.922868 1.913440
H 1.336149 1.320804 2.718850
H 3.320324 -0.916823 -0.069159
H 3.150353 2.268780 -3.000048
H 3.998758 -2.543870 -1.874879
H 3.818588 0.663117 -4.804634
H 4.247505 -1.750300 -4.248555
H 5.346005 2.425278 3.597184


