%chk=000027333.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000027333

2 1
 O   -2.266700     -0.9521000     -0.2112000    
 O    2.266700     -0.9520000      0.2113000    
 O   -2.479700      -2.127800       1.811100    
 O    2.479900      -2.127900      -1.810900    
 N   -3.310400       1.707600     -0.7969000    
 N    3.310200       1.707800      0.7967000    
 C   -2.951200     -0.1455000      0.7516000    
 C    2.951300     -0.1455000     -0.7516000    
 C   -3.990700      0.7236000      7.6899998E-02
 C    3.990700      0.7237000     -7.6800004E-02
 C   -1.863200      -2.120500      0.5164000    
 C    1.863300      -2.120600     -0.5164000    
 C  -0.3552000      -2.135000      0.6767000    
 C   0.3553000      -2.135100     -0.6769000    
 C   -3.528000      -1.165000       1.703800    
 C    3.528300      -1.165100      -1.703500    
 C   -4.331700       2.611900      -1.502600    
 C   -2.366400       2.603600      1.8700000E-02
 C   -2.478300      0.9990000      -1.875900    
 C    2.478000      0.9993000       1.875800    
 C    2.366300       2.603600     -1.8900000E-02
 C    4.331500       2.612200       1.502500    
 H   -2.199500      0.4242000       1.306500    
 H    2.199600      0.4242000      -1.306600    
 H   -4.588800       1.272100      0.8138000    
 H   -4.662200      0.1283000     -0.5538000    
 H    4.588900       1.272200     -0.8137000    
 H    4.662200      0.1285000      0.5541000    
 H   -2.205600      -3.002400     -3.6400001E-02
 H    2.205800      -3.002300      3.6600001E-02
 H  -5.1800001E-02  -1.255200       1.257000    
 H  -5.4600000E-02  -3.009700       1.266100    
 H   5.4800000E-02  -3.010000      -1.266100    
 H   5.1899999E-02  -1.255300      -1.257300    
 H   -4.410500      -1.668400       1.292800    
 H   -3.772300     -0.7525000       2.686200    
 H    4.410700      -1.668500      -1.292300    
 H    3.772900     -0.7527000      -2.686000    
 H   -4.914500       3.128300     -0.7342000    
 H   -3.796200       3.333500      -2.126500    
 H   -4.978700       1.977700      -2.115600    
 H   -2.914500       2.985900      0.8847000    
 H   -1.477100       2.045800      0.3211000    
 H   -2.051800       3.433800     -0.6220000    
 H   -3.055500      0.1661000      -2.287800    
 H   -2.287300       1.724300      -2.675000    
 H   -1.503600      0.7073000      -1.478900    
 H    1.503300      0.7074000       1.478600    
 H    2.286900       1.724700       2.674800    
 H    3.055200      0.1664000       2.287900    
 H    1.477100       2.045700     -0.3214000    
 H    2.051500       3.433900      0.6217000    
 H    2.914400       2.985900     -0.8848000    
 H    4.978400       1.978100       2.115800    
 H    4.914300       3.128600      0.7342000    
 H    3.795900       3.333900       2.126400    


%chk=000027333-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000027333

2 1
O -2.569543 0.118261 -0.047789
O 2.569505 0.118350 0.047843
O -2.348705 -0.957812 2.022249
O 2.348689 -0.957942 -2.022085
N -5.237964 1.107311 -1.373801
N 5.237932 1.107675 1.373703
C -3.829735 0.345869 0.704968
C 3.829680 0.345933 -0.704952
C -5.070511 0.137718 -0.174286
C 5.070480 0.137935 0.174306
C -1.817750 -0.979118 0.672673
C 1.817741 -0.979126 -0.672504
C -0.318716 -0.721571 0.703844
C 0.318699 -0.721627 -0.703696
C -3.786684 -0.702748 1.864646
C 3.786659 -0.702809 -1.864517
C -6.671411 0.962077 -1.895276
C -5.008872 2.558190 -0.952942
C -4.259784 0.744041 -2.498098
C 4.259829 0.744488 2.498095
C 5.008750 2.558496 0.952691
C 6.671411 0.962575 1.895128
H -3.792464 1.368346 1.120905
H 3.792358 1.368361 -1.121003
H -5.975573 0.263098 0.448678
H -5.072420 -0.879708 -0.602283
H 5.975522 0.263280 -0.448694
H 5.072443 -0.879442 0.602419
H -2.078656 -1.932115 0.160809
H 2.078679 -1.932062 -0.160543
H -0.132634 0.231977 1.226651
H 0.116490 -1.530174 1.323752
H -0.116482 -1.530303 -1.323528
H 0.132586 0.231865 -1.226593
H -4.322860 -1.636623 1.595456
H -4.157525 -0.318644 2.825310
H 4.322871 -1.636637 -1.595233
H 4.157480 -0.318793 -2.825225
H -7.374960 1.338396 -1.136784
H -6.775460 1.546093 -2.822262
H -6.874265 -0.099927 -2.101518
H -5.626438 2.784998 -0.070091
H -3.944089 2.708144 -0.724974
H -5.302805 3.213593 -1.787020
H -4.537045 -0.242373 -2.900935
H -4.339820 1.505576 -3.288995
H -3.245380 0.704270 -2.077370
H 3.245400 0.704650 2.077435
H 4.339895 1.506102 3.288913
H 4.537142 -0.241880 2.901009
H 3.943944 2.708382 0.724786
H 5.302718 3.214007 1.786672
H 5.626240 2.785226 0.069768
H 6.874324 -0.099394 2.101492
H 7.374906 1.338834 1.136557
H 6.775475 1.546710 2.822038


