%chk=000043613.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000043613

0 1
 O   -2.056100       1.057900       1.004100    
 O    4.015100       2.056200      -1.215900    
 O    1.193000      -1.315600      0.2156000    
 N    2.321100      0.6215000     -0.4600000    
 N   -4.932400     -0.8870000     -0.2093000    
 C    1.279900       1.585100     -0.1963000    
 C    4.432100     -0.2984000     -0.8074000    
 C    3.371400      -1.402200     -0.8778000    
 C   7.2999999E-02   1.331500      -1.102100    
 C   0.8830000       1.563500       1.281800    
 C   -1.462500       2.309500      0.6652000    
 C   -1.064400       2.311000     -0.8112000    
 C  -0.2557000       2.541800       1.573700    
 C    3.589100      0.9564000     -0.8938000    
 C    2.152700     -0.7378000     -0.2718000    
 C    5.236500     -0.2518000      0.5021000    
 C    3.753800      -2.746000     -0.2662000    
 C    5.375100      -1.556700       1.215600    
 C    4.715400      -2.667800      0.8742000    
 C   -3.188100      0.7829000      0.1916000    
 C   -3.756800     -0.5702000      0.5879000    
 C   -5.984500      0.1205000     -7.7500001E-02
 C   -5.558900      -2.145300      0.1951000    
 C   -7.204900     -0.5850000     -0.6499000    
 C   -6.926800      -2.073900     -0.4675000    
 H    1.674500       2.583600     -0.4259000    
 H    5.101000     -0.3607000      -1.672900    
 H    3.099000      -1.572600      -1.930300    
 H   0.3753000       1.432300      -2.152200    
 H  -0.3060000      0.3093000     -0.9921000    
 H   0.5679000      0.5650000       1.602600    
 H    1.750300       1.821400       1.902400    
 H   -2.196100       3.103500      0.8528000    
 H  -0.6970000       3.319700      -1.049300    
 H   -1.888700       2.159100      -1.510600    
 H  -0.5519000       2.431600       2.623700    
 H   0.1090000       3.567700       1.441300    
 H    6.240500      0.1279000      0.2732000    
 H    4.803200      0.4686000       1.208400    
 H    2.858400      -3.284800      6.4199999E-02
 H    4.221500      -3.366200      -1.041400    
 H    6.052900      -1.589200       2.064300    
 H    4.887100      -3.576800       1.444000    
 H   -2.928400      0.6968000     -0.8652000    
 H   -3.910800       1.592700      0.3315000    
 H   -2.985800      -1.337800      0.4427000    
 H   -3.981800     -0.5670000       1.663000    
 H   -6.168300      0.3879000      0.9710000    
 H   -5.782300       1.032300     -0.6479000    
 H   -4.991300      -3.017200     -0.1449000    
 H   -5.679300      -2.209400       1.284200    
 H   -7.322900     -0.3586000      -1.716200    
 H   -8.122800     -0.2785000     -0.1381000    
 H   -7.694900      -2.557800      0.1443000    
 H   -6.912900      -2.570900      -1.444600    


%chk=000043613-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000043613

0 1
O -2.133405 1.067554 0.760720
O 4.120060 2.226015 -0.758647
O 1.340090 -1.504827 -0.130479
N 2.453865 0.572802 -0.432687
N -5.271146 -0.771335 -0.071477
C 1.329211 1.515777 -0.201785
C 4.701648 -0.208141 -0.616620
C 3.728608 -1.390789 -0.885772
C 0.189454 1.322109 -1.231336
C 0.791137 1.415552 1.247734
C -1.456325 2.342608 0.449875
C -0.910535 2.383453 -0.998952
C -0.316102 2.470546 1.478719
C 3.786183 1.021006 -0.647855
C 2.363973 -0.840993 -0.423700
C 5.387176 -0.272593 0.784403
C 4.092140 -2.782213 -0.306375
C 5.879173 -1.667614 1.112193
C 5.286204 -2.786843 0.625617
C -3.375035 0.841503 0.013881
C -4.074212 -0.351075 0.681349
C -6.413964 0.182422 -0.028244
C -5.834049 -2.080202 0.350116
C -7.651214 -0.656907 -0.469084
C -7.168696 -2.144596 -0.422452
H 1.779207 2.518926 -0.350124
H 5.482422 -0.126941 -1.390209
H 3.628132 -1.491526 -1.986312
H 0.590820 1.408630 -2.258889
H -0.238713 0.310630 -1.113064
H 0.377891 0.405722 1.413986
H 1.617923 1.573658 1.966194
H -2.187136 3.172740 0.589146
H -0.503326 3.399034 -1.183220
H -1.733779 2.238958 -1.723607
H -0.738135 2.357627 2.493678
H 0.109529 3.491644 1.405515
H 6.214506 0.458961 0.809920
H 4.667831 0.053259 1.565987
H 3.199635 -3.181730 0.218912
H 4.283502 -3.495056 -1.131549
H 6.733247 -1.753414 1.796507
H 5.669837 -3.774447 0.915398
H -3.171719 0.596217 -1.049077
H -4.008191 1.756662 0.049918
H -3.356221 -1.191371 0.705797
H -4.311929 -0.084215 1.742826
H -6.565811 0.580555 1.008692
H -6.230141 1.045876 -0.692411
H -5.140550 -2.900943 0.094139
H -6.021986 -2.119307 1.455015
H -7.984459 -0.384368 -1.484846
H -8.500428 -0.484114 0.215222
H -7.899213 -2.814133 0.064231
H -6.987481 -2.518748 -1.444717


