%chk=000025104.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000025104

0 1
 O  -0.5705000       1.222500      -1.911200    
 O    3.150100      -2.158200     -0.6859000    
 O    4.833500     -0.4515000      0.7197000    
 N   -2.825300      0.5811000     -0.2414000    
 C   -3.805300     -0.3611000      0.3088000    
 C   -1.472900      0.1555000      7.6800004E-02
 C  -0.4433000       1.139200     -0.4924000    
 C   -5.210900      0.1239000     -6.1600000E-02
 C   -3.548600      -1.743500     -0.3007000    
 C   -3.653300     -0.4209000       1.833300    
 C   0.9710000      0.7098000     -0.1689000    
 C    1.409400     -0.5367000     -0.5808000    
 C    1.795600       1.572600      0.5322000    
 C    2.713100     -0.9330000     -0.2822000    
 C    3.099200       1.176500      0.8307000    
 C    3.558000     -7.6099999E-02  0.4235000    
 H   -2.989700       1.514300      0.1356000    
 H   -1.292200      9.3099996E-02   1.154500    
 H   -1.273000     -0.8216000     -0.3680000    
 H  -0.6312000       2.143500     -9.2100002E-02
 H   -5.337100      0.1870000      -1.148900    
 H   -5.979100     -0.5579000      0.3207000    
 H   -5.414300       1.116900      0.3561000    
 H   -2.673200      -2.252900      0.1160000    
 H   -3.440000      -1.694400      -1.390800    
 H   -4.399100      -2.407100     -9.9299997E-02
 H   -3.634600      0.5805000       2.279500    
 H   -4.507200     -0.9486000       2.276600    
 H   -2.763100     -0.9655000       2.164700    
 H   0.7698000      -1.207800      -1.146700    
 H    1.450000       2.550400      0.8547000    
 H   -1.493400       1.458900      -2.106300    
 H    3.752500       1.848400       1.380600    
 H    4.119800      -2.161400     -0.7310000    
 H    4.902300      -1.419700      0.7018000    


%chk=000025104-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000025104

0 1
O -0.889745 0.580505 -1.890918
O 3.336554 -2.110929 -1.271557
O 4.911752 -0.781151 0.468171
N -2.794544 0.658440 -0.026824
C -3.843719 -0.337325 0.392003
C -1.409944 0.514766 0.489103
C -0.428883 1.072378 -0.599309
C -5.177598 0.159263 -0.216991
C -3.497218 -1.727184 -0.196471
C -3.972166 -0.426308 1.939810
C 1.002201 0.634467 -0.332333
C 1.517250 -0.529279 -0.952421
C 1.807579 1.361998 0.577252
C 2.820391 -0.964468 -0.656032
C 3.119807 0.926825 0.881480
C 3.618308 -0.234834 0.265703
H -3.144580 1.619555 0.102182
H -1.229551 1.022005 1.460468
H -1.192749 -0.558339 0.623836
H -0.478857 2.186314 -0.575866
H -5.099822 0.224358 -1.316799
H -6.001229 -0.531025 0.036705
H -5.445429 1.161054 0.172646
H -2.565964 -2.141276 0.229902
H -3.371375 -1.660489 -1.291403
H -4.309409 -2.443415 0.023105
H -4.251921 0.554751 2.368923
H -4.747653 -1.159615 2.228719
H -3.018765 -0.744769 2.399447
H 0.910233 -1.068420 -1.683856
H 1.422714 2.276930 1.042632
H -1.889508 0.507900 -1.749062
H 3.744086 1.494101 1.583684
H 4.268375 -2.249155 -0.955412
H 5.448382 -0.231429 1.087084


