%chk=000005403.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000005403

0 1
 O  -0.4641000      0.4115000      -2.206500    
 O    2.992000      -2.694200      8.7399997E-02
 O    4.154800       1.878600      0.8111000    
 N   -2.728400      0.5497000     -0.4352000    
 C   -3.773000     -7.1800001E-02  0.3854000    
 C   -1.410600      0.1342000      1.4400000E-02
 C  -0.3135000      0.7843000     -0.8374000    
 C   -5.139800      0.3874000     -0.1334000    
 C   -3.648500      -1.594200      0.2627000    
 C   -3.593400      0.3555000       1.846800    
 C    1.065700      0.3614000     -0.3811000    
 C    1.975900       1.329700      5.7000001E-03
 C    1.387400     -0.9847000     -0.3603000    
 C    2.658900      -1.374700      6.0300000E-02
 C    3.247500      0.9397000      0.4264000    
 C    3.589100     -0.4124000      0.4537000    
 H   -2.804400       1.565500     -0.3849000    
 H   -1.212400      0.4109000       1.054600    
 H   -1.304500     -0.9480000     -8.5500002E-02
 H  -0.4064000       1.876600     -0.7885000    
 H   -5.283900      0.1035000      -1.182500    
 H   -5.954900     -6.2399998E-02  0.4450000    
 H   -5.248600       1.476200     -6.4199999E-02
 H   -2.810900      -2.014700      0.8293000    
 H   -3.559900      -1.912900     -0.7829000    
 H   -4.548000      -2.078600      0.6636000    
 H   -3.479700       1.441900       1.941600    
 H   -4.479300      7.8199998E-02   2.432000    
 H   -2.745800     -0.1272000       2.344300    
 H    1.716000       2.384500     -1.3000000E-02
 H   0.6808000      -1.744900     -0.6802000    
 H   -1.367500      0.6513000      -2.474800    
 H    4.580100     -0.7164000      0.7819000    
 H    3.907600      -2.782100      0.4037000    
 H    4.979300       1.432900       1.070800    


%chk=000005403-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000005403

0 1
O -0.807400 -0.141423 -1.983288
O 3.237625 -2.727559 -0.640167
O 3.972150 1.736423 1.336680
N -2.670590 0.684559 -0.281752
C -3.780642 -0.027949 0.445452
C -1.295150 0.640202 0.274195
C -0.291157 0.718818 -0.929831
C -5.084201 0.311528 -0.317631
C -3.534873 -1.555896 0.389292
C -3.897679 0.443079 1.923652
C 1.105645 0.289483 -0.507092
C 1.926780 1.201452 0.198807
C 1.556866 -1.019432 -0.782221
C 2.836009 -1.412742 -0.337410
C 3.200957 0.786864 0.637844
C 3.672670 -0.522646 0.379735
H -2.954576 1.650866 -0.502529
H -1.073150 1.440235 1.010859
H -1.149203 -0.331294 0.775946
H -0.252789 1.775249 -1.284040
H -5.013083 -0.016677 -1.369919
H -5.949429 -0.191260 0.149027
H -5.281650 1.401490 -0.306132
H -2.627649 -1.852742 0.945433
H -3.419161 -1.889982 -0.656817
H -4.389691 -2.092705 0.838655
H -4.106286 1.528701 1.976345
H -4.717655 -0.088045 2.441442
H -2.963001 0.244946 2.479405
H 1.606391 2.228614 0.400412
H 0.929224 -1.702526 -1.357822
H -1.807321 -0.099139 -1.824399
H 4.668861 -0.838561 0.721982
H 4.155445 -2.901454 -0.314390
H 4.855313 1.363824 1.580575


