%chk=000023592.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000023592

0 1
 O    2.615800      0.2898000      8.2900003E-02
 N   -3.727700      0.1826000     -0.2263000    
 C   -1.396500     -0.4202000     -0.7247000    
 C   -2.850300     -0.6780000      -1.019100    
 C   0.8248000      -1.253000     -0.2666000    
 C   0.4241000       1.127300     -0.3681000    
 C    1.298100      5.6299999E-02 -0.1816000    
 C  -0.5225000      -1.491300     -0.5381000    
 C  -0.9231000      0.8890000     -0.6397000    
 C    1.744700      -2.413000     -6.9700003E-02
 C   0.9120000       2.535800     -0.2804000    
 C   -3.876400     -0.3483000       1.128200    
 C   -5.034100      0.3128000     -0.8706000    
 C    1.818800      -2.850800       1.399000    
 C   0.8188000       3.093700       1.146000    
 C   -4.785500      0.5338000       1.966900    
 C   -5.709600      -1.039900      -1.020500    
 C    2.730500      -4.052800       1.586900    
 C    1.348500       4.516200       1.234400    
 C    3.492100      0.3893000      -1.036900    
 C    4.866300      0.7007000     -0.5445000    
 C    5.931100     -8.0100000E-02 -0.7576000    
 H   -3.078200      -1.741900     -0.8728000    
 H   -2.972000     -0.4753000      -2.092400    
 H  -0.8911000      -2.512200     -0.6027000    
 H   -1.595800       1.729300     -0.7941000    
 H    2.752000      -2.202200     -0.4395000    
 H    1.396600      -3.256800     -0.6809000    
 H   0.3185000       3.168100     -0.9547000    
 H    1.938500       2.632500     -0.6448000    
 H   -2.894500     -0.3431000       1.618700    
 H   -4.220400      -1.388400       1.163700    
 H   -4.899000      0.7536000      -1.867200    
 H   -5.688600       1.021300     -0.3528000    
 H    2.185300      -2.023100       2.018400    
 H   0.8167000      -3.101800       1.767500    
 H  -0.2232000       3.075900       1.488400    
 H    1.388900       2.458900       1.835300    
 H   -4.683200      0.2620000       3.023700    
 H   -5.843100      0.4102000       1.715000    
 H   -4.518900       1.592800       1.878800    
 H   -6.662700     -0.8955000      -1.543800    
 H   -5.960800      -1.509400     -6.5600000E-02
 H   -5.140400      -1.748900      -1.628100    
 H    2.764400      -4.342100       2.641900    
 H    3.751200      -3.824100       1.264100    
 H    2.371300      -4.911100       1.010100    
 H    2.401500       4.560900      0.9386000    
 H   0.7793000       5.187000      0.5832000    
 H    1.267500       4.888200       2.260500    
 H    3.481000     -0.5403000      -1.616500    
 H    3.169400       1.192500      -1.708500    
 H    4.999100       1.622700      1.5400000E-02
 H    6.905500      0.2036000     -0.3749000    
 H    5.852100      -1.009000      -1.311500    


%chk=000023592-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000023592

0 1
O 2.641169 0.182697 0.091295
N -3.872474 0.082482 -0.414964
C -1.467497 -0.590572 -0.704990
C -2.930826 -0.870578 -1.048340
C 0.823289 -1.422837 -0.287792
C 0.367927 1.020759 -0.336098
C 1.263966 -0.075668 -0.205910
C -0.552025 -1.654984 -0.538912
C -0.994435 0.737843 -0.592692
C 1.777415 -2.578919 -0.033517
C 0.837543 2.452319 -0.129852
C -3.981838 -0.119891 1.051778
C -5.159205 0.219567 -1.141410
C 2.015755 -2.822957 1.483663
C 0.970949 2.816196 1.375982
C -4.690953 1.037338 1.778737
C -6.093252 -1.022978 -1.142879
C 2.990194 -3.990612 1.743785
C 1.442806 4.269626 1.588955
C 3.489819 0.363862 -1.120410
C 4.831821 0.872523 -0.667392
C 6.018669 0.338691 -1.046510
H -3.157749 -1.937208 -0.794988
H -3.065635 -0.778665 -2.145821
H -0.910720 -2.691629 -0.599529
H -1.719186 1.555139 -0.688473
H 2.760812 -2.386264 -0.502545
H 1.373018 -3.503909 -0.489869
H 0.120906 3.148795 -0.607119
H 1.821159 2.620782 -0.608882
H -2.949072 -0.201765 1.438736
H -4.489381 -1.086113 1.303676
H -4.917450 0.490706 -2.187818
H -5.704772 1.081741 -0.715907
H 2.414017 -1.891706 1.927869
H 1.043446 -3.024941 1.974789
H -0.007481 2.660497 1.871634
H 1.684040 2.112586 1.845097
H -4.627786 0.891263 2.872700
H -5.762045 1.106999 1.515513
H -4.209404 1.999089 1.526662
H -7.004167 -0.812432 -1.733910
H -6.412094 -1.295312 -0.120250
H -5.595297 -1.901869 -1.591690
H 3.143238 -4.151283 2.826826
H 3.979113 -3.788274 1.290290
H 2.608592 -4.935948 1.312376
H 2.434823 4.437167 1.127356
H 0.736139 4.990789 1.135504
H 1.527258 4.510573 2.664597
H 3.584614 -0.596171 -1.667181
H 2.994883 1.096881 -1.793336
H 4.800219 1.744455 0.000749
H 6.971351 0.767852 -0.717677
H 6.072595 -0.541530 -1.699507


