%chk=000028492.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000028492

1 1
 O  -0.2974000     -2.2900000E-02  -1.008900    
 N   -3.796800      5.4000001E-03  0.2871000    
 C   -2.683800     -3.0300001E-02 -0.7502000    
 C   -3.648500       1.251800       1.147700    
 C   -5.145600      3.2600001E-02 -0.4172000    
 C   -3.709400      -1.232600       1.168100    
 C   -1.341900     -2.6100000E-02 -4.4700000E-02
 C   0.9864000     -1.0300000E-02 -0.5291000    
 C    1.624200       1.204000     -0.2935000    
 C    1.643400      -1.211900     -0.2819000    
 C    3.594200      1.5200000E-02  0.4436000    
 C    2.931100       1.216700      0.1940000    
 C    2.950400      -1.199000      0.2055000    
 C   0.9312000       2.500500     -0.5549000    
 C   0.9712000      -2.521900     -0.5303000    
 C    4.991400      2.8899999E-02  0.9647000    
 H   -2.810300     -0.9291000      -1.365700    
 H   -2.792100      0.8440000      -1.403400    
 H   -3.509200       2.117900      0.4941000    
 H   -4.568800       1.370600       1.729100    
 H   -2.815200       1.135800       1.845000    
 H   -5.231100     -0.8674000      -1.033200    
 H   -5.936100      5.3399999E-02  0.3389000    
 H   -5.191100      0.9305000      -1.040800    
 H   -3.641300      -2.116600      0.5272000    
 H   -2.850800      -1.160400       1.839900    
 H   -4.620900      -1.280600       1.773000    
 H   -1.211500      0.8605000      0.5802000    
 H   -1.213800     -0.9130000      0.5812000    
 H    3.435200       2.162200      0.3805000    
 H    3.469500      -2.134500      0.4011000    
 H    1.650200       3.315800     -0.6920000    
 H   0.3327000       2.454500      -1.470900    
 H   0.2805000       2.759400      0.2861000    
 H   0.3727000      -2.494700      -1.447000    
 H   0.3242000      -2.782300      0.3130000    
 H    1.703100      -3.327100     -0.6589000    
 H    5.187900     -0.8469000       1.592400    
 H    5.702600      3.0800000E-02  0.1326000    
 H    5.173800      0.9136000       1.584200    


%chk=000028492-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000028492

1 1
O -0.321322 -0.001594 -0.850287
N -3.920931 0.002140 0.296436
C -2.629713 -0.004336 -0.550428
C -3.995300 1.257505 1.165778
C -5.110297 -0.003709 -0.668324
C -3.996831 -1.241125 1.182926
C -1.305649 0.001705 0.232788
C 1.054324 0.000536 -0.400611
C 1.707823 1.246699 -0.233158
C 1.708392 -1.243760 -0.221755
C 3.770694 0.004601 0.348898
C 3.071626 1.220593 0.146114
C 3.072166 -1.213521 0.157318
C 0.983426 2.560618 -0.465697
C 0.984618 -2.560116 -0.442186
C 5.242993 0.006583 0.717886
H -2.664636 -0.903299 -1.189046
H -2.664453 0.885412 -1.201858
H -3.882452 2.144239 0.523737
H -4.972442 1.282520 1.672022
H -3.191524 1.233804 1.914902
H -5.061755 -0.908778 -1.292471
H -6.045952 0.002305 -0.088652
H -5.058996 0.891218 -1.306725
H -3.885018 -2.136666 0.553018
H -3.193192 -1.208211 1.931880
H -4.974100 -1.258097 1.689277
H -1.187241 0.907659 0.861161
H -1.184014 -0.897773 0.869704
H 3.601534 2.172279 0.275006
H 3.602510 -2.163739 0.295009
H 1.701323 3.370416 -0.676488
H 0.285278 2.486542 -1.317347
H 0.400321 2.873037 0.424259
H 0.284384 -2.493347 -1.292732
H 0.404035 -2.866079 0.451657
H 1.702725 -3.370927 -0.648326
H 5.515541 -0.883485 1.310706
H 5.876990 0.002078 -0.189565
H 5.515415 0.902573 1.301773


