%chk=000019514.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000019514

0 1
 O   0.3720000      -1.249400      0.4741000    
 O   -1.241800      -1.640200      -1.128000    
 N    2.947200      0.2308000     -3.5500001E-02
 C   0.6006000      5.9500001E-02 -6.5399997E-02
 C    1.771500      0.7433000      0.6919000    
 C    1.138000     -0.1434000      -1.499800    
 C    2.585900      0.3323000      -1.451900    
 C  -0.6799000      0.8833000     -3.1999999E-03
 C    1.814800      0.4298000       2.187300    
 C    4.175000      0.9628000      0.2521000    
 C  -0.9272000       1.863600     -0.9648000    
 C   -1.606000      0.6583000       1.015900    
 C  -0.5847000      -1.997200     -0.1599000    
 C   -2.099200       2.617700     -0.9076000    
 C   -2.778100       1.412500       1.073100    
 C  -0.7017000      -3.338400      0.5256000    
 C   -3.024700       2.392200      0.1113000    
 C   -1.761700      -4.217300     -0.1152000    
 H    1.708100       1.833700      0.5623000    
 H   0.6014000      0.3474000      -2.313600    
 H    1.173300      -1.206300      -1.773100    
 H    3.233700     -0.2847000      -2.083300    
 H    2.640400       1.369400      -1.807700    
 H    2.616000      0.9883000       2.682300    
 H   0.8768000      0.7122000       2.674800    
 H    1.989100     -0.6348000       2.377500    
 H    4.076900       2.036800      5.7100002E-02
 H    4.998600      0.5785000     -0.3601000    
 H    4.476300      0.8276000       1.295600    
 H  -0.2139000       2.113400      -1.742800    
 H   -1.433200     -8.4100001E-02   1.790000    
 H   -2.285800       3.389500      -1.648700    
 H   -3.496400       1.240600       1.869400    
 H   0.2696000      -3.841000      0.4701000    
 H  -0.9589000      -3.168300       1.576400    
 H   -3.935300       2.982200      0.1582000    
 H   -1.528900      -4.409800      -1.167800    
 H   -1.824000      -5.179100      0.4032000    
 H   -2.746400      -3.740100     -7.1999997E-02


%chk=000019514-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000019514

0 1
O 0.263949 -1.297864 0.467923
O -1.194524 -1.936820 -1.251484
N 2.939326 0.311015 -0.119090
C 0.543868 0.034303 -0.174183
C 1.721064 0.674995 0.657415
C 1.158819 -0.174444 -1.597493
C 2.546718 0.499723 -1.536290
C -0.708831 0.914859 -0.093204
C 1.783689 0.274295 2.135783
C 4.161633 1.031142 0.269876
C -0.850907 2.033276 -0.953716
C -1.691866 0.702488 0.905427
C -0.614162 -2.182060 -0.171260
C -1.957448 2.901950 -0.836182
C -2.799814 1.570113 1.025280
C -0.729452 -3.465093 0.641654
C -2.939994 2.673682 0.154219
C -1.696673 -4.483657 0.013273
H 1.555988 1.784721 0.596344
H 0.510213 0.208337 -2.399288
H 1.288234 -1.254355 -1.766944
H 3.281134 0.028053 -2.212840
H 2.475706 1.587134 -1.807000
H 2.555051 0.860640 2.666934
H 0.815634 0.471746 2.628988
H 2.014649 -0.798087 2.232942
H 4.058915 2.144736 0.191238
H 4.995593 0.718049 -0.383166
H 4.438763 0.783345 1.308655
H -0.098625 2.231479 -1.725831
H -1.595042 -0.150967 1.585020
H -2.053237 3.755338 -1.517149
H -3.554119 1.382224 1.797919
H 0.287763 -3.889336 0.746757
H -1.044327 -3.193140 1.667745
H -3.801334 3.344849 0.244494
H -1.369417 -4.765271 -1.002115
H -1.746744 -5.397098 0.632039
H -2.712793 -4.062699 -0.074886


