%chk=000044834.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000044834

0 1
 O    2.299000     -0.4498000      0.4040000    
 O    3.225100      -1.379700      -1.493600    
 N   -1.018600       2.690600      -1.248000    
 C  -0.1601000     -0.3504000     -6.8000001E-03
 C   0.1396000      0.4842000      -1.323200    
 C    1.132500      -1.263600      0.2348000    
 C  -0.9830000       1.382300      -1.905200    
 C  -0.3364000      0.5316000       1.266400    
 C   -1.418400      -1.224400     -0.3081000    
 C    1.056200      -2.267600       1.407100    
 C  -0.7619000       1.605200      -3.404400    
 C   -1.149500      9.3199998E-02   2.311600    
 C   -1.275400      -2.457200     -0.9448000    
 C   0.3195000       1.759200       1.360900    
 C   -2.686000     -0.7720000      5.9099998E-02
 C    2.338600      -3.083100       1.545300    
 C   3.0099999E-02   3.557500      -1.782100    
 C   -2.331800       3.309900      -1.417700    
 C   -1.307100      0.8822000       3.451000    
 C   -2.399800      -3.237600      -1.214200    
 C   0.1620000       2.548100       2.500400    
 C   -3.810200      -1.552500     -0.2102000    
 C    3.271200     -0.6138000     -0.5410000    
 C  -0.6514000       2.109600       3.545400    
 C   -3.667200      -2.785200     -0.8468000    
 C    4.423300      0.3096000     -0.2207000    
 C    5.559500      0.1735000      -1.219200    
 H    1.071600       1.049000      -1.226300    
 H   0.3711000     -0.2561000      -2.105500    
 H    1.265400      -1.878500     -0.6585000    
 H   -1.946400      0.8785000      -1.801900    
 H   0.2086000      -2.949600       1.296900    
 H   0.9268000      -1.731900       2.353200    
 H   0.2613000       1.903000      -3.659900    
 H  -0.9257000      0.6534000      -3.926900    
 H   -1.467100       2.309400      -3.856500    
 H   -1.613200     -0.8882000       2.327200    
 H  -0.3245000      -2.847700      -1.284400    
 H    1.000000       2.117600      0.5980000    
 H   -2.862500      0.2132000      0.4795000    
 H    2.225900      -3.822400       2.345000    
 H    3.194700      -2.451000       1.800100    
 H    2.563800      -3.620400      0.6187000    
 H  -0.1733000       3.951000      -2.785000    
 H   0.1149000       4.436000      -1.129500    
 H    1.024500       3.101000      -1.770700    
 H   -2.371400       4.255100     -0.8637000    
 H   -2.589800       3.526700      -2.459100    
 H   -3.117500       2.675500     -0.9918000    
 H   -1.924100      0.5323000       4.273400    
 H   -2.290400      -4.193700      -1.717700    
 H   0.6822000       3.498300       2.579600    
 H   -4.799100      -1.191900      5.7700001E-02
 H  -0.7682000       2.720600       4.435700    
 H   -4.543200      -3.389900      -1.062400    
 H    4.791700      6.8999998E-02  0.7822000    
 H    4.052900       1.340200     -0.2298000    
 H    6.377800      0.8525000     -0.9606000    
 H    5.222500      0.4137000      -2.233200    
 H    5.952600     -0.8486000      -1.230400    


%chk=000044834-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000044834

0 1
O 2.396456 -0.428423 0.300432
O 3.234902 -1.477697 -1.619179
N -1.564157 2.330681 -1.353992
C -0.087798 -0.256454 0.011012
C 0.266622 0.554920 -1.302797
C 1.130392 -1.239714 0.249849
C -0.858405 1.253939 -2.111368
C -0.220322 0.630141 1.282235
C -1.370364 -1.085663 -0.277157
C 1.090613 -2.066046 1.545639
C -0.277294 1.718578 -3.481274
C -1.101656 0.285508 2.342479
C -1.338304 -2.416983 -0.771398
C 0.653381 1.728060 1.500416
C -2.644942 -0.465753 -0.152107
C 2.182357 -3.154851 1.592686
C -0.785994 3.559751 -1.110937
C -2.903513 2.640777 -1.894758
C -1.147317 1.032668 3.539861
C -2.527480 -3.108030 -1.103048
C 0.615018 2.479212 2.694782
C -3.832742 -1.151351 -0.479543
C 3.371627 -0.666677 -0.674284
C -0.294302 2.143548 3.722578
C -3.783834 -2.482740 -0.954501
C 4.596220 0.195691 -0.402283
C 5.718950 -0.012442 -1.433383
H 1.060195 1.288578 -1.073237
H 0.729338 -0.169581 -2.002485
H 1.239457 -1.899081 -0.630468
H -1.632790 0.493552 -2.327701
H 0.091429 -2.533434 1.629537
H 1.196618 -1.384023 2.408178
H 0.593487 2.387972 -3.350570
H 0.055412 0.848033 -4.075496
H -1.038671 2.258250 -4.074123
H -1.763251 -0.580035 2.238544
H -0.389575 -2.944321 -0.909093
H 1.400040 1.989439 0.745855
H -2.686968 0.575935 0.181203
H 2.117910 -3.732850 2.532154
H 3.192056 -2.708765 1.542434
H 2.085444 -3.864698 0.749691
H -0.610864 4.169834 -2.031231
H -1.327298 4.193146 -0.384196
H 0.191144 3.315177 -0.665766
H -3.434010 3.312824 -1.194508
H -2.887614 3.144962 -2.893861
H -3.492159 1.710922 -1.992530
H -1.846080 0.739465 4.331996
H -2.465873 -4.136192 -1.477864
H 1.303208 3.322693 2.824683
H -4.797553 -0.642962 -0.367212
H -0.329105 2.727003 4.649569
H -4.705162 -3.019014 -1.208243
H 4.945376 -0.029483 0.623752
H 4.267197 1.252773 -0.375543
H 6.582392 0.633813 -1.195964
H 5.371003 0.227378 -2.452619
H 6.058850 -1.062059 -1.441446


