%chk=000097866.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000097866

0 1
 O  -0.8245000      -1.777500      -1.477000    
 O   -3.518500      -1.533100      -1.248800    
 O   -4.623300     -7.0600003E-02  0.8192000    
 O    5.145300      -1.123800      0.1065000    
 O    2.152000       3.097800      -1.748800    
 N   0.4838000       2.309000     -0.3300000    
 C    1.337300       1.887000      0.7625000    
 C   0.6512000       2.070500       2.130800    
 C  -0.1889000      0.8962000       2.648300    
 C    1.867200      0.4822000      0.5368000    
 C   -1.054000      0.2477000       1.596300    
 C    1.001200     -0.6366000      0.4213000    
 C  -0.4697000     -0.5001000      0.5456000    
 C   -1.325200      -1.094700     -0.4014000    
 C    3.257600      0.2990000      0.4284000    
 C   -2.449300      0.3822000       1.672700    
 C    1.575400      -1.903900      0.1997000    
 C   -2.711400     -0.9559000     -0.3129000    
 C   -3.272600     -0.2174000      0.7227000    
 C    3.797400     -0.9661000      0.2077000    
 C    2.957200      -2.066600      9.3099996E-02
 C   0.9708000       2.879100      -1.492600    
 C  -0.1267000       3.199900      -2.471500    
 C  -0.5846000      -1.023800      -2.660200    
 C   -4.474200      -2.481800     -0.7816000    
 C   -5.203100       1.048400      0.1511000    
 C    5.629400      -2.447200     -0.1179000    
 H    2.185100       2.585600      0.7542000    
 H   2.6300000E-02   2.973300       2.100500    
 H    1.424000       2.265400       2.886600    
 H  -0.8046000       1.249400       3.485400    
 H   0.4650000      0.1300000       3.086000    
 H  -0.5162000       2.148900     -0.2518000    
 H    3.928400       1.151200      0.5146000    
 H   -2.897000      0.9576000       2.480000    
 H   0.9515000      -2.793200      0.1338000    
 H    3.306900      -3.080000     -7.2200000E-02
 H   0.2839000       3.760100      -3.316000    
 H  -0.5736000       2.272600      -2.839800    
 H  -0.8961000       3.807700      -1.986900    
 H   0.1834000     -0.2639000      -2.486700    
 H   -1.504600     -0.5496000      -3.016200    
 H  -0.2254000      -1.707700      -3.434100    
 H   -4.160800      -2.962600      0.1519000    
 H   -4.578300      -3.258100      -1.545400    
 H   -5.448400      -2.001700     -0.6545000    
 H   -4.815700       1.984500      0.5657000    
 H   -6.284900       1.017500      0.3072000    
 H   -5.003200       1.002500     -0.9241000    
 H    6.721300      -2.386900     -0.1734000    
 H    5.282100      -2.845500      -1.077300    
 H    5.388000      -3.111200      0.7190000    


%chk=000097866-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000097866

0 1
O -1.016695 -1.820840 -1.344141
O -3.771950 -1.293458 -1.107204
O -4.690762 0.412869 1.067679
O 5.137876 -1.325086 0.202895
O 2.119322 3.828354 -1.304615
N 0.581996 2.331361 -0.389525
C 1.472201 1.892123 0.709812
C 0.840636 2.174949 2.108573
C -0.049558 1.025797 2.660385
C 1.905159 0.429783 0.541743
C -1.017864 0.446714 1.641018
C 0.950738 -0.637774 0.452444
C -0.516588 -0.380024 0.582170
C -1.460375 -0.944864 -0.323024
C 3.280971 0.146680 0.449970
C -2.400024 0.714468 1.736063
C 1.435458 -1.955201 0.260398
C -2.857365 -0.700551 -0.201429
C -3.329678 0.159854 0.825969
C 3.744137 -1.180072 0.273943
C 2.814296 -2.242547 0.175004
C 0.979896 3.267267 -1.331159
C -0.053425 3.586559 -2.410551
C -1.081208 -1.245415 -2.707106
C -3.945712 -2.754057 -0.908404
C -5.505208 0.891257 -0.071985
C 5.667234 -2.674717 -0.005416
H 2.362725 2.535974 0.598936
H 0.259126 3.113166 2.030540
H 1.656676 2.356645 2.834299
H -0.605862 1.398124 3.539824
H 0.615916 0.215676 3.015951
H -0.342918 1.903996 -0.458209
H 4.019654 0.953631 0.494282
H -2.789722 1.346831 2.540325
H 0.715231 -2.773323 0.176674
H 3.141979 -3.276690 0.034597
H -0.279784 4.666444 -2.384083
H 0.384263 3.369562 -3.400350
H -0.995282 3.020353 -2.301853
H -0.399458 -0.376923 -2.784087
H -2.117580 -0.950426 -2.952193
H -0.741092 -2.045612 -3.381931
H -2.981834 -3.274032 -1.048621
H -4.669356 -3.071544 -1.674891
H -4.349490 -2.953554 0.101501
H -5.149723 1.888049 -0.398254
H -6.528801 0.972640 0.323990
H -5.463467 0.179098 -0.911929
H 6.759612 -2.552129 -0.040931
H 5.308529 -3.105114 -0.960774
H 5.394046 -3.348472 0.830182


