%chk=000033346.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000033346

0 1
 O  -0.3112000      0.1029000     -0.5318000    
 O   -6.365000      -1.208300      0.2154000    
 O  -0.2389000      0.7161000       1.716500    
 O   -6.633400      0.9999000     -0.3771000    
 N    5.938400      0.4463000     -2.7100001E-02
 N    7.895000     -0.7064000     -0.5729000    
 N    5.940500      -1.881800     -0.6525000    
 C    1.780400      0.4485000      0.4767000    
 C   -1.705100      8.3800003E-02 -0.4365000    
 C   -4.451900      4.5800000E-02 -0.2515000    
 C    2.613000      0.1366000       1.551300    
 C    2.332400      0.7596000     -0.7660000    
 C   -2.402400       1.239000     -0.7118000    
 C   -2.326800      -1.089700     -7.2499998E-02
 C    4.549900      0.4466000      0.1407000    
 C   -3.793900       1.219700     -0.6179000    
 C   -3.718400      -1.108900      2.1299999E-02
 C   0.3367000      0.4497000      0.6519000    
 C    3.997700      0.1357000       1.383500    
 C    3.717200      0.7587000     -0.9340000    
 C   -5.902900      2.5500000E-02 -0.1538000    
 C    6.532100     -0.6635000     -0.3967000    
 C   -7.783200      -1.355800      0.3448000    
 H    2.199100     -0.1109000       2.525400    
 H    1.709800       1.019600      -1.618000    
 H   -1.889700       2.152000     -0.9980000    
 H   -1.755200      -1.988100      0.1387000    
 H   -4.346200       2.130300     -0.8350000    
 H   -4.187500      -2.045300      0.3100000    
 H    4.638200     -0.1089000       2.226800    
 H    4.138200       1.005700      -1.905100    
 H   -7.992500      -2.386600      0.6425000    
 H   -8.271600      -1.159400     -0.6143000    
 H   -8.163400     -0.6813000       1.117500    
 H    8.468800      0.1161000     -0.4216000    
 H    8.366200      -1.557600     -0.8589000    
 H    6.494700      -2.683200     -0.9341000    
 H    4.939900      -2.023700     -0.5697000    


%chk=000033346-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000033346

0 1
O -0.474594 -0.054077 -0.122880
O -6.779733 -0.824469 -0.696576
O 0.221837 1.316779 1.673060
O -6.842565 0.486167 1.229644
N 5.836112 -0.461549 -1.159197
N 8.156851 -0.609662 -1.016455
N 6.903899 -1.036815 0.931223
C 1.864674 0.298383 0.192982
C -1.875017 0.007788 0.079484
C -4.692484 -0.074601 0.213243
C 2.964681 0.893752 0.871609
C 2.122872 -0.540785 -0.928457
C -2.537587 0.690874 1.131968
C -2.608077 -0.709441 -0.899044
C 4.553159 -0.218199 -0.653322
C -3.944434 0.638667 1.183733
C -4.009972 -0.750706 -0.833395
C 0.505975 0.597206 0.685708
C 4.282615 0.643662 0.463051
C 3.438579 -0.788086 -1.344308
C -6.174486 -0.085662 0.331510
C 6.906525 -0.683329 -0.416358
C -8.257554 -0.880177 -0.646644
H 2.756525 1.558293 1.717321
H 1.281246 -0.989962 -1.462051
H -1.965836 1.242572 1.877446
H -2.060106 -1.221786 -1.695121
H -4.484967 1.155047 1.983821
H -4.586525 -1.299738 -1.582175
H 5.114748 1.143425 0.972038
H 3.646073 -1.422290 -2.211574
H -8.545250 -1.495956 -1.510520
H -8.682293 0.135167 -0.722682
H -8.592767 -1.339077 0.298908
H 8.166947 -0.340937 -1.997745
H 8.973685 -1.068213 -0.620764
H 7.754530 -1.063471 1.487120
H 6.011715 -1.170095 1.401601


