%chk=000091846.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000091846

0 1
 O    1.274600      -2.327300      -1.555600    
 O    2.195600      -2.761800      0.4715000    
 O    4.952800       1.699400      0.5116000    
 O    3.061900       2.195700     -0.6469000    
 O   -4.841400       1.383400     -0.7015000    
 O   -5.086800     -0.6649000      4.8999999E-02
 N   -4.368700      0.3319000     -0.2060000    
 C    2.060600     -0.4564000     -0.2573000    
 C    1.214900      7.4400000E-02  0.9161000    
 C    3.555600     -0.1189000     -0.1467000    
 C  -0.2627000      0.1431000      0.6198000    
 C    1.864500      -1.957600     -0.3916000    
 C  -0.7938000       1.300800      7.3200002E-02
 C   -1.063700     -0.9535000      0.8990000    
 C    3.804800       1.370400     -0.1322000    
 C   -2.160000       1.363800     -0.2013000    
 C   -2.430000     -0.8907000      0.6245000    
 C   -2.978100      0.2681000      7.4199997E-02
 H    1.691000      2.7000001E-03  -1.185500    
 H    1.374200     -0.5452000       1.809400    
 H    1.544300       1.077500       1.213400    
 H    3.956000     -0.5500000      0.7789000    
 H    4.112600     -0.5495000     -0.9862000    
 H  -0.1640000       2.158000     -0.1474000    
 H  -0.6485000      -1.859800       1.330200    
 H   -2.552000       2.282400     -0.6305000    
 H   -3.036700      -1.763300      0.8528000    
 H    1.153700      -3.299100      -1.612000    
 H    5.106600       2.668200      0.5133000    


%chk=000091846-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000091846

0 1
O 2.424802 -2.306029 -1.724768
O 1.373149 -2.832900 0.275063
O 5.061100 1.724426 0.068319
O 2.867085 2.262088 -0.466867
O -4.881270 1.542501 -0.764977
O -5.276341 -0.506947 0.154021
N -4.487071 0.460910 -0.177712
C 2.010376 -0.475779 -0.209300
C 1.178137 -0.061106 1.037682
C 3.510126 -0.102146 -0.075912
C -0.307291 0.062784 0.733686
C 1.878374 -1.972995 -0.477834
C -0.796725 1.230186 0.085212
C -1.218358 -0.973239 1.067897
C 3.726022 1.397661 -0.182198
C -2.163652 1.370213 -0.218478
C -2.590664 -0.851382 0.773463
C -3.044030 0.322415 0.133163
H 1.621233 0.052569 -1.100487
H 1.347172 -0.801582 1.839513
H 1.554593 0.916801 1.385746
H 3.935194 -0.454828 0.882140
H 4.101677 -0.580602 -0.878769
H -0.094866 2.031494 -0.174761
H -0.840943 -1.880904 1.549609
H -2.559332 2.261941 -0.711616
H -3.307557 -1.637177 1.025270
H 2.327027 -3.284048 -1.883332
H 5.189332 2.707477 -0.027574


