%chk=000013782.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000013782

0 1
 O   -4.256100       2.671100     -0.1546000    
 O    1.759400      -2.332400      -1.117900    
 O    4.450000       2.411400     -0.6361000    
 O  -0.3171000      4.9999999E-03   2.256400    
 N   -1.150800      -1.244300      0.4527000    
 N    1.060500      -1.068300      0.7096000    
 N   -3.046900      9.7199999E-02 -3.6100000E-02
 N    3.086900      7.4100003E-02  0.2476000    
 C  -0.6179000      -2.021300     -0.6630000    
 C   -2.574000      -1.080100      0.6892000    
 C   0.8832000      -1.845200     -0.4138000    
 C  -0.1488000     -0.6858000       1.258700    
 C    2.354200     -0.6980000       1.248900    
 C  -0.9845000      -1.424200      -2.019400    
 C  -0.9815000      -3.501200     -0.5728000    
 C   -2.331600       1.303200      0.4039000    
 C   -4.494000      0.2756000      0.1458000    
 C    2.360000       1.303500     -9.7800002E-02
 C    4.435700      0.4049000      0.7280000    
 C   -2.850600       2.519900     -0.3570000    
 C   -4.961700       1.516100     -0.6100000    
 C    3.149200       2.097500      -1.134800    
 C    5.176200       1.221000     -0.3277000    
 H   -2.735500     -0.9672000       1.768500    
 H   -3.096600      -1.983500      0.3614000    
 H    2.888400      -1.632700       1.455400    
 H    2.229000     -0.1492000       2.189600    
 H  -0.7012000     -0.3668000      -2.080200    
 H  -0.4669000      -1.945900      -2.832400    
 H   -2.060400      -1.494500      -2.211200    
 H  -0.4446000      -4.086000      -1.328300    
 H  -0.7189000      -3.915800      0.4076000    
 H   -2.052800      -3.665700     -0.7265000    
 H   -1.264600       1.257700      0.1742000    
 H   -2.465900       1.464600       1.480900    
 H   -4.732600      0.3865000       1.211700    
 H   -5.035200     -0.5980000     -0.2347000    
 H    2.210200       1.921500      0.7973000    
 H    1.377200       1.090400     -0.5312000    
 H    5.002000     -0.5110000      0.9314000    
 H    4.376300      0.9824000       1.659800    
 H   -2.362200       3.427600      1.2000000E-02
 H   -2.642000       2.444900      -1.431400    
 H   -4.824000       1.406100      -1.692700    
 H   -6.027900       1.684000     -0.4273000    
 H    3.241600       1.549100      -2.080300    
 H    2.638800       3.042100      -1.348500    
 H    6.158100       1.519600      5.3100001E-02
 H    5.338200      0.6429000      -1.245700    


%chk=000013782-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000013782

0 1
O -4.605647 2.391247 -1.149568
O 1.752141 -2.749137 -0.879348
O 4.651972 2.451965 -0.456845
O -0.015811 0.246688 2.286543
N -1.053566 -1.048975 0.570770
N 1.190260 -1.218174 0.838310
N -3.077137 0.152630 -0.125784
N 3.128441 0.269515 0.626586
C -0.615624 -2.009934 -0.486197
C -2.438506 -0.716163 0.890809
C 0.914886 -2.071917 -0.229309
C 0.011476 -0.576523 1.333360
C 2.551838 -0.869390 1.322589
C -0.856004 -1.469877 -1.919397
C -1.244555 -3.411044 -0.304118
C -2.502079 1.524865 -0.154914
C -4.554316 0.208201 0.035397
C 3.277407 1.525238 1.394877
C 4.262049 0.003249 -0.285807
C -3.140908 2.325934 -1.298879
C -5.163478 1.030847 -1.113367
C 3.490606 2.694218 0.417833
C 4.453272 1.208833 -1.223019
H -2.413504 -0.242650 1.900665
H -3.039940 -1.643175 0.956367
H 3.161518 -1.780564 1.179860
H 2.444302 -0.663728 2.403219
H -0.370978 -0.487388 -2.055683
H -0.426767 -2.177338 -2.649844
H -1.936341 -1.346151 -2.097099
H -0.731314 -4.124524 -0.970963
H -1.138961 -3.767011 0.735921
H -2.316137 -3.395801 -0.571141
H -1.410574 1.453490 -0.312029
H -2.672513 2.054230 0.814091
H -4.848314 0.673604 1.009068
H -4.962805 -0.820846 0.009205
H 4.146803 1.478887 2.095221
H 2.359752 1.696417 1.986739
H 4.041425 -0.900397 -0.883072
H 5.211663 -0.169544 0.277227
H -2.798012 3.373396 -1.291601
H -2.885085 1.854965 -2.272821
H -4.967949 0.518101 -2.080374
H -6.249594 1.161000 -0.975649
H 2.577493 2.827911 -0.202110
H 3.717671 3.629703 0.955263
H 5.359173 1.096300 -1.841229
H 3.560569 1.311620 -1.877449


