%chk=000036097.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000036097

0 1
 O    1.320800     -0.8493000     -0.3146000    
 O    1.707700      2.3900000E-02   1.784500    
 O   -2.238700       1.712600     -0.4607000    
 O    4.691700       4.063400      0.6669000    
 O    4.121700       3.144000      -1.331100    
 N   -2.900600     -0.4978000     -0.7223000    
 C  -0.9088000      -1.486000      0.4231000    
 C   0.5741000      -1.917500      0.2624000    
 C   -1.772600      -2.567300       1.116900    
 C   0.7444000      -3.190500     -0.5829000    
 C   -1.585400      -1.049600     -0.8937000    
 C    2.213300      -3.599600     -0.7384000    
 C   -1.190200      -3.068000       2.431700    
 C    2.354200      -4.838900      -1.609000    
 C    1.837200      6.0500000E-02  0.5689000    
 C   -3.121100      0.8602000     -0.5166000    
 C   -4.598200       1.177700     -0.3685000    
 C    2.592900       1.121500     -0.2018000    
 C   -4.854900       2.664600     -0.1422000    
 C    3.281800       2.139100      0.6995000    
 C   -6.336400       2.954100      3.5999998E-02
 C    4.067000       3.142900     -0.1081000    
 H  -0.9140000     -0.6040000       1.079700    
 H   0.9928000      -2.147900       1.249700    
 H   -2.763300      -2.149600       1.334800    
 H   -1.940500      -3.418600      0.4472000    
 H   0.1882000      -4.025600     -0.1448000    
 H   0.3402000      -3.017300      -1.587400    
 H  -0.9647000     -0.3061000      -1.406200    
 H   -1.694500      -1.904600      -1.569500    
 H    2.790300      -2.785200      -1.190700    
 H    2.648200      -3.798200      0.2479000    
 H  -0.9396000      -2.234200       3.095000    
 H   -1.923000      -3.698500       2.946200    
 H  -0.2946000      -3.676200       2.277600    
 H   -3.694100      -1.131500     -0.7517000    
 H    3.408500      -5.116800      -1.704300    
 H    1.957900      -4.660100      -2.613700    
 H    1.817400      -5.687500      -1.173300    
 H   -5.114500      0.8416000      -1.275600    
 H   -4.988000      0.5971000      0.4763000    
 H    3.340900      0.6150000     -0.8239000    
 H    1.881100       1.630700     -0.8622000    
 H   -4.311400       3.007500      0.7464000    
 H   -4.471500       3.243300     -0.9910000    
 H    2.536100       2.678100       1.294100    
 H    3.972100       1.629800       1.381300    
 H   -6.739800       2.417700      0.9009000    
 H   -6.497000       4.024900      0.1954000    
 H   -6.904000       2.653700     -0.8504000    
 H    5.190200       4.716300      0.1305000    


%chk=000036097-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000036097

0 1
O 1.309200 -1.143066 -0.292605
O 1.549744 -0.277986 1.861534
O -1.341610 1.383060 -0.254345
O 1.808278 4.755800 0.473393
O 3.388753 3.611545 -0.780609
N -2.691823 -0.491428 -0.471790
C -0.879439 -1.930731 0.529935
C 0.591636 -2.348318 0.259974
C -1.715548 -3.053545 1.198237
C 0.808023 -3.465771 -0.770352
C -1.562450 -1.394770 -0.761901
C 2.285262 -3.903362 -0.893085
C -1.177914 -3.522910 2.569249
C 2.484762 -5.023719 -1.935464
C 1.682997 -0.153536 0.620340
C -2.498573 0.854798 -0.213874
C -3.755057 1.657465 0.134566
C 2.265347 1.054084 -0.089242
C -3.801614 3.022136 -0.594710
C 1.670629 2.354440 0.489121
C -4.977190 3.898776 -0.116844
C 2.393010 3.577869 -0.021573
H -0.827224 -1.083515 1.241312
H 1.076802 -2.599463 1.222132
H -2.745462 -2.665244 1.337552
H -1.803076 -3.920378 0.511367
H 0.192250 -4.338770 -0.474298
H 0.440233 -3.132368 -1.760689
H -0.824974 -0.818502 -1.346574
H -1.937806 -2.227701 -1.385417
H 2.897150 -3.022959 -1.165324
H 2.647563 -4.246638 0.097614
H -1.029735 -2.663661 3.248833
H -1.885271 -4.222195 3.051099
H -0.208132 -4.044867 2.477870
H -3.637639 -0.870960 -0.420475
H 3.546555 -5.322042 -2.006100
H 2.160947 -4.692251 -2.940204
H 1.897708 -5.924683 -1.673586
H -4.673131 1.074908 -0.080541
H -3.739648 1.841199 1.228203
H 3.362942 1.053520 0.054682
H 2.078442 0.976756 -1.171000
H -2.839447 3.537593 -0.421346
H -3.875807 2.852369 -1.686732
H 0.594884 2.427709 0.243099
H 1.732157 2.346229 1.594211
H -4.899345 4.110356 0.966413
H -4.990813 4.867443 -0.648430
H -5.951049 3.403866 -0.294416
H 2.313802 5.537219 0.119088


