%chk=000039264.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000039264

0 1
 O  -0.8683000     -0.4495000       1.891600    
 O   0.2825000      -2.327700     -5.9200000E-02
 N    1.271100     -0.2714000     -0.6629000    
 N    4.796400      -1.386000      -1.032400    
 C  -0.7924000     -0.1863000      0.5044000    
 C  -0.2560000       1.188200      0.2038000    
 C   0.9528000       1.082000     -0.4866000    
 C   0.2943000      -1.105300     -9.7000003E-02
 C   -2.117800     -0.4600000     -0.1186000    
 C    2.453700     -0.7474000      -1.340600    
 C  -0.7837000       2.429300      0.5200000    
 C    1.663200       2.199400     -0.8898000    
 C    3.606400     -0.8881000     -0.3509000    
 C   -2.262400     -0.4080000      -1.505800    
 C   -3.217100     -0.7693000      0.6841000    
 C  -7.9700001E-02   3.567900      0.1204000    
 C   0.3729000     -0.2055000       2.545100    
 C    1.133000       3.453600     -0.5797000    
 C   -3.503100     -0.6644000      -2.089100    
 C   -4.457800      -1.025800      0.1006000    
 C   0.2166000     -0.4918000       4.023300    
 C   -4.600800     -0.9733000      -1.286000    
 C    5.896100      -1.560700     -9.4499998E-02
 H    2.224000      -1.728600      -1.774600    
 H    2.704100     -7.7100001E-02  -2.170300    
 H   -1.718600       2.521900       1.062000    
 H    2.604000       2.126300      -1.423000    
 H    3.816300      8.1500001E-02  0.1174000    
 H    3.313800      -1.580100      0.4489000    
 H   -1.424200     -0.1694000      -2.154900    
 H   -3.154800     -0.8152000       1.767300    
 H  -0.4727000       4.553800      0.3541000    
 H    1.166200     -0.8580000       2.167100    
 H   0.6872000      0.8387000       2.456100    
 H    1.665000       4.352600     -0.8795000    
 H   -3.614700     -0.6234000      -3.168700    
 H   -5.313400      -1.264900      0.7254000    
 H    5.073100     -0.7290000      -1.761400    
 H    1.153700     -0.3150000       4.558900    
 H  -0.5635000      0.1419000       4.458300    
 H  -9.0899996E-02  -1.530400       4.184000    
 H   -5.567000      -1.172500      -1.740100    
 H    5.643500      -2.290000      0.6820000    
 H    6.174500     -0.6139000      0.3797000    
 H    6.773100      -1.939900     -0.6281000    


%chk=000039264-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000039264

0 1
O -0.999525 -0.210476 2.012500
O 0.337404 -2.302612 0.174988
N 1.282199 -0.294962 -0.642763
N 4.865951 -1.413010 -1.109861
C -0.795528 -0.052248 0.561448
C -0.207381 1.296895 0.167134
C 1.004591 1.097143 -0.544176
C 0.310158 -1.056197 0.029682
C -2.137973 -0.396113 -0.092884
C 2.459170 -0.890609 -1.286753
C -0.677412 2.593774 0.411714
C 1.757627 2.177555 -1.040279
C 3.707368 -0.883640 -0.371096
C -2.614866 0.299935 -1.230185
C -2.888826 -1.481424 0.425118
C 0.070585 3.699531 -0.073477
C 0.228047 -0.112831 2.833350
C 1.269169 3.486470 -0.794857
C -3.835830 -0.075284 -1.835182
C -4.110560 -1.849739 -0.177040
C -0.212431 -0.243152 4.290607
C -4.589072 -1.149087 -1.309453
C 6.047143 -1.725586 -0.283842
H 2.213583 -1.934554 -1.542747
H 2.666295 -0.344395 -2.227876
H -1.608543 2.743600 0.968520
H 2.690446 2.026298 -1.592750
H 3.868131 0.144273 0.042332
H 3.513164 -1.550056 0.489999
H -2.040607 1.137302 -1.640441
H -2.508417 -2.017335 1.298324
H -0.281341 4.720202 0.108667
H 0.924976 -0.930914 2.555971
H 0.726912 0.861750 2.650751
H 1.835864 4.346703 -1.168762
H -4.197987 0.472020 -2.712859
H -4.687302 -2.686058 0.233790
H 5.103646 -0.831995 -1.924530
H 0.664130 -0.186038 4.961802
H -0.913764 0.565654 4.559025
H -0.717797 -1.210023 4.456480
H -5.536900 -1.438551 -1.777511
H 5.790578 -2.525600 0.434592
H 6.444753 -0.861087 0.301895
H 6.858773 -2.106329 -0.928566


