%chk=000129856.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000129856

0 1
 O    3.059100      -2.028800      0.6618000    
 O   -2.380200      -1.786900      0.9102000    
 O   3.4899998E-02  0.2106000       1.339700    
 O    3.632100       1.812200       1.088300    
 O   -1.838500      -2.279800      -1.254800    
 N  -0.1654000      -2.171400      0.3580000    
 N    2.176200      8.9299999E-02  0.5187000    
 N  -0.6644000       2.372400     -1.6500000E-02
 N    4.074300      0.8443000      -1.848800    
 C   0.9483000      -1.848300     -0.5049000    
 C    2.117000      -1.295000      0.3415000    
 C   0.7797000       2.161800      0.1252000    
 C    1.416500      -3.135700      -1.197800    
 C   0.5121000     -0.8349000      -1.565900    
 C   0.9780000      0.7628000      0.7580000    
 C    3.397300      0.7780000      0.4583000    
 C   0.1668000      -2.583800       1.723100    
 C    1.460800       2.396800      -1.224300    
 C    1.305200       3.213200       1.119500    
 C    4.403800      0.2387000     -0.5604000    
 C   -1.494400      -2.094000     -8.8699996E-02
 C    5.823300      0.6305000     -0.1638000    
 C   -3.756800      -1.690000      0.5261000    
 C   -4.054500     -0.2755000      0.1236000    
 C   -4.492300      0.6436000       1.077200    
 C   -3.893100      0.1207000      -1.204300    
 C   -4.768800       1.958700      0.7033000    
 C   -4.169600       1.435800      -1.578100    
 C   -4.607400       2.354700     -0.6243000    
 H    1.724100      -3.904700     -0.4797000    
 H    2.273300      -2.939800      -1.853300    
 H   0.6211000      -3.575800      -1.810500    
 H  -7.9999998E-04  -1.336600      -2.397200    
 H  -0.1818000     -6.9700003E-02  -1.231300    
 H    1.383000     -0.3899000      -2.044700    
 H   0.8433000      -3.443100       1.681700    
 H  -0.7341000      -2.911300       2.250600    
 H   0.6274000      -1.789900       2.312000    
 H    2.527900       2.594300      -1.138100    
 H    1.060700       3.315700      -1.677300    
 H    1.280700       1.616400      -1.957200    
 H    2.283100       3.622900      0.8507000    
 H    1.349800       2.832400       2.146400    
 H   0.6469000       4.092600       1.143200    
 H    4.382700     -0.8427000     -0.6767000    
 H   -1.134700       2.221300      0.8748000    
 H   -1.065200       1.712800     -0.6792000    
 H    6.069900      0.2298000      0.8258000    
 H    6.554200      0.2348000     -0.8777000    
 H    5.953900       1.718100     -0.1202000    
 H    4.812800      0.6422000      -2.522000    
 H    3.235100      0.4121000      -2.226600    
 H   -4.018200      -2.403900     -0.2650000    
 H   -4.360300      -1.973700       1.396100    
 H   -4.619300      0.3482000       2.115200    
 H   -3.570100     -0.5817000      -1.966100    
 H   -5.108700       2.674600       1.445900    
 H   -4.046900       1.743700      -2.612300    
 H   -4.822600       3.378600     -0.9155000    


%chk=000129856-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000129856

0 1
O 2.216024 -1.319185 1.145437
O -2.553272 -2.276053 0.983257
O 1.107548 2.107488 1.187437
O 4.810246 1.486118 0.337983
O -1.937891 -1.991371 -1.265277
N -0.597748 -1.161081 0.495821
N 2.605062 0.729202 0.067742
N 1.160881 4.049868 -0.840266
N 5.159594 -0.402151 -1.847610
C 0.460338 -0.643370 -0.434612
C 1.772216 -0.432239 0.380344
C 2.412613 3.325574 -0.511300
C 0.933200 -1.735451 -1.461309
C -0.087121 0.573228 -1.219337
C 2.021053 2.047888 0.322707
C 4.033435 0.550211 0.021088
C -0.541336 -0.802045 1.936363
C 3.136286 3.017623 -1.838792
C 3.261120 4.244462 0.405588
C 4.599606 -0.777090 -0.529749
C -1.694989 -1.810631 -0.034347
C 5.606466 -1.382801 0.475676
C -3.840241 -2.886157 0.502614
C -4.931243 -1.847355 0.350701
C -5.782067 -1.534105 1.441311
C -5.115893 -1.174223 -0.885176
C -6.797632 -0.561611 1.304543
C -6.131417 -0.202278 -1.023565
C -6.974347 0.106399 0.070220
H 1.268115 -2.639756 -0.926394
H 1.767192 -1.335612 -2.067367
H 0.095672 -1.992785 -2.125831
H -0.907214 0.211930 -1.861930
H -0.483947 1.346688 -0.544087
H 0.691810 1.010842 -1.869279
H 0.088986 -1.511399 2.499254
H -1.560046 -0.819503 2.345811
H -0.119893 0.212687 2.041036
H 4.128879 2.574632 -1.680339
H 3.256143 3.970284 -2.381680
H 2.550773 2.329674 -2.477480
H 4.203254 3.751719 0.689696
H 2.698635 4.498747 1.322781
H 3.472941 5.176594 -0.145704
H 3.789371 -1.498773 -0.711478
H 0.607634 4.286392 -0.007490
H 0.588811 3.584037 -1.555542
H 5.101520 -1.661720 1.417699
H 6.068785 -2.288103 0.042767
H 6.401597 -0.651520 0.706140
H 6.001535 0.178593 -1.792560
H 5.231815 -1.167996 -2.520868
H -3.634484 -3.404099 -0.449324
H -4.072569 -3.612047 1.297876
H -5.645637 -2.052260 2.398682
H -4.450259 -1.410629 -1.722770
H -7.450529 -0.327915 2.153002
H -6.268243 0.311467 -1.981803
H -7.763940 0.858667 -0.038610


