%chk=000042598.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000042598

1 1
 O   0.7994000      0.1459000      0.3925000    
 O   -1.299900     -0.3688000       1.961200    
 O  -5.3300001E-02  -1.695600     -0.6890000    
 N    4.477700      0.5131000     -0.1185000    
 C    4.902300     -0.8590000      0.3850000    
 C    3.095000      0.8467000      0.4227000    
 C    4.438900      0.5054000      -1.639800    
 C    5.474800       1.559300      0.3583000    
 C    6.297400      -1.169700     -0.1334000    
 C    2.099600     -0.1804000     -7.9999998E-02
 C    6.751300      -2.552800      0.3046000    
 C   -1.560200     -0.2185000      0.5507000    
 C  -0.2117000     -0.7039000      1.2900000E-02
 C   -1.827900       1.254100      0.2311000    
 C   -2.746800      -1.091400      0.1353000    
 C   -2.434700       2.035600       1.187100    
 C   -3.123100      -1.104500      -1.188000    
 C   -1.450900       1.740000     -0.9997000    
 C   -3.391000      -1.829900       1.100900    
 C   -2.678600       3.377800      0.8960000    
 C   -4.204200      -1.900300      -1.566800    
 C   -1.694700       3.082300      -1.290600    
 C   -4.472100      -2.625800      0.7221000    
 C   -2.308500       3.901200     -0.3427000    
 C   -4.878700      -2.660900     -0.6119000    
 H    4.866800     -0.8476000       1.480400    
 H    4.217500      -1.618700      1.3000000E-03
 H    3.145200      0.8551000       1.518200    
 H    2.824000       1.856100      9.0099998E-02
 H    5.453500      0.6228000      -2.032200    
 H    4.012700     -0.4350000      -2.000700    
 H    3.841500       1.359000      -1.976200    
 H    5.622800       1.438600       1.435600    
 H    6.417100       1.466700     -0.1870000    
 H    5.051200       2.547400      0.1500000    
 H    6.349700      -1.147900      -1.225700    
 H    7.041100     -0.4657000      0.2507000    
 H    2.050200     -0.2049000      -1.172200    
 H    2.319700      -1.181600      0.2974000    
 H    7.760300      -2.758200     -6.7199998E-02
 H    6.769800      -2.632400       1.396400    
 H    6.082800      -3.327400     -8.5100003E-02
 H   -2.744100       1.645400       2.151300    
 H   -2.603800     -0.5439000      -1.956000    
 H  -0.9689000       1.125400      -1.752900    
 H   -3.105100      -1.827000       2.147000    
 H  -0.6821000      0.3290000       2.240900    
 H   -3.159600       4.014700       1.632600    
 H   -4.517500      -1.932300      -2.606300    
 H   -1.405900       3.490300      -2.254900    
 H   -4.997900      -3.218300       1.465200    
 H   -2.498900       4.946100     -0.5696000    
 H   -5.719700      -3.281500     -0.9070000    


%chk=000042598-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000042598

1 1
O 1.196866 1.952679 0.974691
O -1.385391 2.411353 1.283670
O 0.976305 0.776497 -1.016297
N 4.056082 -0.531950 0.872069
C 3.636809 -1.033561 -0.547125
C 2.880644 0.259355 1.494198
C 5.306588 0.339757 0.821668
C 4.328026 -1.735072 1.775155
C 4.774272 -1.599209 -1.410482
C 2.644669 1.664833 0.886084
C 4.180652 -2.173124 -2.721076
C -1.089400 1.396722 0.266391
C 0.431042 1.359835 -0.049933
C -1.942674 1.641090 -0.984570
C -1.311274 0.018503 0.939306
C -3.305155 1.245499 -0.964580
C -1.316835 -1.161964 0.152982
C -1.451342 2.372954 -2.094727
C -1.464502 -0.068058 2.343705
C -4.157510 1.568614 -2.040292
C -1.492121 -2.420131 0.769089
C -2.306564 2.696249 -3.171710
C -1.641835 -1.330613 2.955609
C -3.660954 2.294861 -3.148401
C -1.655300 -2.508371 2.172940
H 2.864847 -1.802636 -0.362197
H 3.134271 -0.189724 -1.048780
H 1.979890 -0.361209 1.350273
H 3.083908 0.330121 2.575940
H 6.171412 -0.279428 0.545712
H 5.174548 1.136155 0.075808
H 5.470770 0.779223 1.818235
H 3.391068 -2.295444 1.915098
H 5.081877 -2.381077 1.302944
H 4.700070 -1.380259 2.748765
H 5.503954 -0.809049 -1.665657
H 5.324429 -2.404049 -0.886060
H 3.119096 2.461749 1.475945
H 2.966457 1.728046 -0.168836
H 4.987834 -2.547256 -3.372452
H 3.492972 -3.013964 -2.520194
H 3.623672 -1.402791 -3.283618
H -3.695309 0.690992 -0.104441
H -1.203271 -1.092182 -0.934592
H -0.400808 2.680846 -2.138360
H -1.472776 0.852596 2.932601
H -1.547542 3.278344 0.831296
H -5.207245 1.258198 -2.014356
H -1.522001 -3.326991 0.155216
H -1.916317 3.257605 -4.027198
H -1.784023 -1.391606 4.040073
H -4.323220 2.544661 -3.984022
H -1.807160 -3.483522 2.648589


