%chk=000047233.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000047233

0 1
 O    2.361100      0.1435000      0.9881000    
 O    2.853600      0.1329000      -1.284200    
 N   -1.912100      -1.820800     -1.3800000E-02
 N    4.537300     -8.2000002E-02  0.2972000    
 C   -3.093000      0.8009000     -0.3092000    
 C   -1.651900      0.6052000      3.3599999E-02
 C   -1.110100     -0.6730000      0.1697000    
 C   -3.282500       1.526100      -1.653700    
 C   -3.864100       1.540400      0.7991000    
 C  -0.8453000       1.728000      0.2182000    
 C   0.2385000     -0.8283000      0.4904000    
 C    1.045300      0.2946000      0.6749000    
 C   0.5033000       1.572700      0.5387000    
 C   -2.616100      -2.408900       1.107000    
 C   -2.050500      -2.414500      -1.327900    
 C    3.230300      7.0100002E-02 -0.1177000    
 C    5.656200     -0.1869000     -0.6103000    
 H   -3.604000     -0.1607000     -0.4217000    
 H   -2.904600       2.553600      -1.624200    
 H   -4.344400       1.571300      -1.919000    
 H   -2.758000      0.9981000      -2.458000    
 H   -3.757500       1.023300       1.759200    
 H   -4.932000       1.585400      0.5591000    
 H   -3.510700       2.568700      0.9305000    
 H   -1.243200       2.734000      0.1179000    
 H   0.6660000      -1.822600      0.5983000    
 H    1.126200       2.451500      0.6817000    
 H   -1.927400      -3.006000       1.713600    
 H   -3.430900      -3.061700      0.7764000    
 H   -3.058000      -1.637600       1.747300    
 H   -1.067800      -2.583000      -1.781700    
 H   -2.628100      -1.762700      -1.991200    
 H   -2.558400      -3.383800      -1.284600    
 H    4.722800     -0.1232000       1.294600    
 H    6.357000      0.6198000     -0.3823000    
 H    5.333500     -0.1149000      -1.651600    
 H    6.144900      -1.149100     -0.4391000    


%chk=000047233-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000047233

0 1
O 2.422967 0.742728 0.078912
O 2.976331 -1.534119 -0.406414
N -1.911619 -1.667938 -0.466079
N 4.584548 0.141629 -0.060367
C -3.363769 0.921644 -0.126324
C -1.844466 0.773813 0.021075
C -1.165778 -0.469356 -0.204136
C -3.718460 1.938124 -1.246227
C -4.050593 1.325429 1.206104
C -1.055342 1.914980 0.306416
C 0.258788 -0.517283 -0.201901
C 0.996684 0.654998 0.052887
C 0.352665 1.878543 0.329556
C -2.727704 -2.207983 0.643802
C -1.249150 -2.731848 -1.240239
C 3.301095 -0.346506 -0.157131
C 5.757782 -0.713803 -0.247059
H -3.761966 -0.056998 -0.449470
H -3.368323 2.956671 -0.995270
H -4.814337 1.984668 -1.391654
H -3.253357 1.646398 -2.204741
H -3.826583 0.608816 2.017936
H -5.148815 1.373644 1.081576
H -3.706025 2.321338 1.542634
H -1.554704 2.874550 0.486068
H 0.786227 -1.455194 -0.374025
H 0.949821 2.771355 0.534427
H -2.111372 -2.799480 1.361405
H -3.519044 -2.868908 0.243084
H -3.206818 -1.393809 1.207060
H -0.509830 -3.323678 -0.649832
H -0.728410 -2.299185 -2.110269
H -2.019769 -3.433061 -1.610567
H 4.691611 1.134310 0.148325
H 6.373851 -0.370694 -1.098894
H 5.403195 -1.735082 -0.457969
H 6.386069 -0.738313 0.662600


