%chk=000094930.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000094930

0 1
 O   -3.400000      -1.146800      0.1975000    
 O    1.708800      -2.504500     -0.1928000    
 O    2.927500       1.994100      4.6399999E-02
 N   -1.682000      0.5125000      0.2115000    
 N   -1.085300      -1.651900      3.1700000E-02
 N   0.6635000       1.435400      0.1389000    
 N    2.355400     -0.2581000     -5.8800001E-02
 C  -0.2936000      0.4372000      0.1275000    
 C   3.8600001E-02 -0.8587000      2.1900000E-02
 C   -2.224600     -0.8129000      0.1528000    
 C   -2.517100       1.679000      0.3399000    
 C    1.429200      -1.314200     -8.7300003E-02
 C    2.044600       1.129000      4.3499999E-02
 C   -1.103500      -3.090200     -6.4599998E-02
 C   0.2886000       2.839200      0.2481000    
 C   -2.918500       2.225800      -1.014400    
 C    3.768400     -0.6149000     -0.1417000    
 H   -3.434700       1.375300      0.8595000    
 H   -2.063500       2.432900      0.9803000    
 H  -0.6555000      -3.397900      -1.013500    
 H   -2.134900      -3.452500     -2.8899999E-02
 H  -0.5507000      -3.519200      0.7758000    
 H  -0.3949000       3.120000     -0.5506000    
 H    1.161600       3.491800      0.1487000    
 H  -0.1258000       3.026100       1.241600    
 H   -2.061100       2.431800      -1.659900    
 H   -3.549600       1.505500      -1.547100    
 H   -3.493900       3.149200     -0.8966000    
 H    4.185400     -0.1704000      -1.051100    
 H    3.931000      -1.695000     -0.1607000    
 H    4.291700     -0.1866000      0.7192000    


%chk=000094930-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000094930

0 1
O -3.426922 -1.101127 0.257318
O 1.844693 -2.543805 -0.200818
O 2.967292 2.022048 0.044227
N -1.654016 0.527893 0.261645
N -1.097266 -1.658850 0.069339
N 0.687817 1.465160 0.169997
N 2.385159 -0.238867 -0.087195
C -0.265139 0.453902 0.154776
C 0.089522 -0.894615 0.039530
C -2.200738 -0.811175 0.201579
C -2.595984 1.666235 0.288855
C 1.447291 -1.342511 -0.088953
C 2.073593 1.126253 0.040354
C -1.216554 -3.118543 -0.021298
C 0.373219 2.894413 0.373853
C -2.962095 2.173450 -1.121047
C 3.825306 -0.559620 -0.220930
H -3.503578 1.277075 0.782980
H -2.186802 2.471315 0.918541
H -0.785665 -3.486329 -0.966540
H -2.290646 -3.360665 0.023140
H -0.686252 -3.605645 0.813119
H -0.338283 3.255885 -0.386254
H 1.322224 3.441810 0.271077
H -0.031043 3.070492 1.386010
H -2.080598 2.552772 -1.668802
H -3.415232 1.360208 -1.713026
H -3.699155 2.992886 -1.043870
H 4.240261 -0.071450 -1.117850
H 3.906877 -1.653243 -0.303029
H 4.377817 -0.194353 0.660071


