%chk=000021847.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000021847

0 1
 O    2.741600       1.442900       2.089300    
 O    5.121600       2.316200      -1.744300    
 N   -2.305300       1.086300      0.5883000    
 N    3.884700       1.858800      0.1440000    
 C   0.5444000      0.4152000      0.7442000    
 C    1.918800      0.3367000      8.5699998E-02
 C  -0.4697000     -0.4683000      9.7000003E-03
 C   3.5999998E-02   1.860100      0.7880000    
 C    1.805400      0.8984000      -1.349700    
 C   -1.872100     -0.3173000      0.6028000    
 C   -1.383000       1.933800       1.355800    
 C    2.385200      -1.129800      0.1002000    
 C    2.854800       1.267000      0.8745000    
 C    3.165600      0.9703000      -2.026500    
 C   -3.666300       1.207200       1.110400    
 C    4.141400       1.787800      -1.220000    
 C    3.094000      -1.617000       1.193400    
 C    2.093800      -1.956800     -0.9795000    
 C   -4.652700      0.4148000      0.2944000    
 C    3.516600      -2.946200       1.206800    
 C    2.516300      -3.286100     -0.9659000    
 C    3.227700      -3.780800      0.1273000    
 C   -5.286100       1.016000     -0.7844000    
 C   -4.914300     -0.9058000      0.6318000    
 C   -6.199900      0.2821000      -1.540700    
 C   -5.827900      -1.639800     -0.1247000    
 C   -6.470700      -1.045800      -1.210900    
 H   0.6030000      5.1899999E-02   1.781400    
 H  -0.2163000      -1.529000      9.7099997E-02
 H  -0.5456000     -0.2295000      -1.054900    
 H  -2.7300000E-02   2.316500     -0.2030000    
 H   0.6703000       2.510700       1.396900    
 H    1.454500       1.935100      -1.348700    
 H    1.123600      0.3612000      -2.011500    
 H   -2.502700     -0.9464000     -3.0800000E-02
 H   -1.889900     -0.7292000       1.620500    
 H   -1.371200       1.641600       2.414300    
 H   -1.715500       2.978300       1.311500    
 H    3.054200       1.450400      -3.005900    
 H    3.606100     -1.6400000E-02  -2.195200    
 H   -3.977500       2.260700       1.101500    
 H   -3.721400      0.8921000       2.162000    
 H    4.531800       2.428200      0.6829000    
 H    3.324000      -1.004300       2.058100    
 H    1.531800      -1.633000      -1.847000    
 H    4.067100      -3.332900       2.059400    
 H    2.288300      -3.937800      -1.804400    
 H    3.555100      -4.816200      0.1385000    
 H   -5.081100       2.048900      -1.051500    
 H   -4.434200      -1.378000       1.484400    
 H   -6.700000      0.7443000      -2.386800    
 H   -6.041600      -2.672600      0.1341000    
 H   -7.182500      -1.617200      -1.799400    


%chk=000021847-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000021847

0 1
O 2.811928 1.403045 2.026941
O 5.273736 2.633861 -1.673023
N -2.372527 0.843816 0.762132
N 3.958943 1.967874 0.114288
C 0.543222 0.423582 0.574446
C 1.978453 0.407673 -0.093739
C -0.471732 -0.509208 -0.130344
C -0.086340 1.835366 0.701268
C 1.953150 0.990479 -1.534977
C -1.811089 -0.523612 0.633109
C -1.427811 1.750935 1.457607
C 2.530959 -1.049086 -0.036906
C 2.916420 1.283782 0.774693
C 3.359324 1.157222 -2.146802
C -3.717184 0.845664 1.385270
C 4.280655 1.979231 -1.262720
C 2.968063 -1.591986 1.201565
C 2.536470 -1.897338 -1.175097
C -4.797976 0.248937 0.487613
C 3.407884 -2.929943 1.294226
C 2.975285 -3.237530 -1.083789
C 3.416854 -3.761361 0.151130
C -4.795681 0.502862 -0.907528
C -5.847560 -0.525196 1.040046
C -5.825208 -0.002553 -1.731230
C -6.882874 -1.029164 0.218754
C -6.875309 -0.768653 -1.170681
H 0.696551 0.045049 1.606199
H -0.081271 -1.541413 -0.189883
H -0.664127 -0.158348 -1.163244
H -0.285788 2.266420 -0.298662
H 0.589746 2.516873 1.249164
H 1.458276 1.978014 -1.505640
H 1.333782 0.357932 -2.192836
H -2.544595 -1.152647 0.097925
H -1.650542 -0.984908 1.644073
H -1.229615 1.410470 2.508410
H -1.888533 2.755058 1.518234
H 3.319940 1.651658 -3.132255
H 3.843007 0.173246 -2.300777
H -3.972703 1.903336 1.600531
H -3.723286 0.312640 2.371105
H 4.579189 2.516670 0.724036
H 2.966513 -0.963284 2.098877
H 2.184383 -1.530597 -2.145000
H 3.743773 -3.322055 2.260712
H 2.967970 -3.870471 -1.978386
H 3.759650 -4.799433 0.222119
H -3.969473 1.087921 -1.327082
H -5.854363 -0.736837 2.117049
H -5.811972 0.200468 -2.808506
H -7.688504 -1.626870 0.660508
H -7.675164 -1.160290 -1.809421


