%chk=000091174.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000091174

0 1
 O   -5.459400      0.9350000       1.064400    
 O   -2.269700      -1.442800      -1.826700    
 O    4.612000      -2.186900      0.6790000    
 O    3.768600       2.388000     -0.4593000    
 O    5.516000      0.4155000      0.3935000    
 N   -3.253200      0.2249000     -0.5424000    
 C   -5.504800     -0.2775000      0.2998000    
 C   -4.614500     -0.1439000     -0.9375000    
 C   -3.196900       1.403100      0.3324000    
 C   -6.953900     -0.5289000     -9.0599999E-02
 C   -4.132600       1.214900       1.518900    
 C   -2.173400     -0.4553000      -1.095700    
 C   -7.851400     -0.6305000       1.129900    
 C  -0.8157000      3.7099998E-02 -0.7907000    
 C   0.1746000     -0.8537000     -0.7492000    
 C    1.578300     -0.5202000     -0.4488000    
 C    2.011600      0.7873000     -0.5980000    
 C    2.436900      -1.520400     -2.3200000E-02
 C    3.765400      -1.204700      0.2612000    
 C    3.340200       1.103100     -0.3137000    
 C    4.217300      0.1070000      0.1158000    
 C    4.700200      -2.412000       2.084500    
 C    3.656400       3.241400      0.6779000    
 C    6.447800      0.3194000     -0.6813000    
 H   -5.148200      -1.101400      0.9325000    
 H   -4.618300      -1.072300      -1.517400    
 H   -4.974700      0.6613000      -1.589700    
 H   -3.511800       2.260300     -0.2738000    
 H   -2.188400       1.593500      0.7018000    
 H   -7.029800      -1.452000     -0.6766000    
 H   -7.323600      0.2915000     -0.7178000    
 H   -3.794900      0.4002000       2.170500    
 H   -4.169300       2.130100       2.117800    
 H   -8.876600     -0.8622000      0.8234000    
 H   -7.878700      0.3080000       1.692400    
 H   -7.513500      -1.425800       1.802100    
 H  -0.6772000       1.095400     -0.6227000    
 H  -2.2100000E-02  -1.911700     -0.9086000    
 H    1.366800       1.585800     -0.9521000    
 H    2.093000      -2.545400      9.3099996E-02
 H    5.052300      -1.511800       2.597900    
 H    5.419200      -3.217300       2.258000    
 H    3.728500      -2.717600       2.485400    
 H    2.608300       3.348200      0.9749000    
 H    4.245900       2.850400       1.513100    
 H    4.045200       4.226700      0.4065000    
 H    6.177400       1.007500      -1.488500    
 H    7.435900      0.5957000     -0.3034000    
 H    6.493300     -0.7059000      -1.061600    


%chk=000091174-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000091174

0 1
O -5.881392 1.274751 0.390968
O -2.470113 -2.040700 -0.673580
O 4.829361 -2.188152 0.062009
O 3.503768 2.576978 0.420801
O 5.601216 0.586975 0.356824
N -3.471135 0.057085 -0.603341
C -5.803650 -0.201646 0.231853
C -4.791559 -0.553073 -0.879692
C -3.537886 1.516753 -0.396037
C -7.222697 -0.688197 -0.085755
C -4.565063 1.836712 0.713665
C -2.344524 -0.775018 -0.534836
C -8.216220 -0.442635 1.068616
C -1.009840 -0.148482 -0.314968
C 0.099887 -0.943607 -0.231451
C 1.492182 -0.516232 -0.037386
C 1.871236 0.839366 0.166590
C 2.508450 -1.511184 -0.034507
C 3.861268 -1.160032 0.129174
C 3.223247 1.202789 0.322163
C 4.243008 0.204964 0.269066
C 5.653774 -2.356172 1.281697
C 4.374228 3.011210 1.536656
C 6.369954 0.365991 -0.895999
H -5.446185 -0.639424 1.192106
H -4.642045 -1.643027 -0.950885
H -5.174715 -0.172616 -1.849310
H -3.863545 2.005297 -1.337384
H -2.556372 1.927410 -0.116624
H -7.175002 -1.769169 -0.324550
H -7.571342 -0.168016 -0.999429
H -4.202800 1.432916 1.684467
H -4.720739 2.925359 0.801381
H -9.234058 -0.772075 0.791979
H -8.253016 0.630740 1.320664
H -7.915978 -0.997614 1.977406
H -0.917696 0.939633 -0.246270
H -0.078895 -2.024035 -0.330080
H 1.130654 1.643729 0.197471
H 2.257539 -2.569117 -0.163470
H 6.194786 -1.424655 1.526146
H 6.362332 -3.163919 1.043828
H 5.013442 -2.655929 2.132730
H 3.894841 2.774253 2.506167
H 5.363789 2.530101 1.474335
H 4.461110 4.102121 1.420101
H 5.946168 0.982413 -1.709554
H 7.397033 0.690237 -0.669606
H 6.351693 -0.701960 -1.176753


