%chk=000086811.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000086811

0 1
 O  -1.1000000E-03   2.064800      -1.897700    
 O    7.124500      -2.399100      0.3249000    
 O   -7.146100      -2.380700      0.2938000    
 O    5.240600      -3.011100     -0.6216000    
 O   -5.284500      -2.983700     -0.7009000    
 N    5.974700      -2.135400     -0.1031000    
 N   -5.999900      -2.116700     -0.1432000    
 C   7.4000000E-03 -0.2059000       1.593300    
 C    1.255200      0.6098000       1.283500    
 C   -1.240000      0.6138000       1.291600    
 C    1.274700       1.080800     -0.1408000    
 C   -1.267400       1.081800     -0.1336000    
 C   1.8000000E-03   1.466900     -0.8251000    
 C    2.410100       1.151800     -0.8515000    
 C   -2.406400       1.150700     -0.8386000    
 C    3.753400      0.8159000     -0.3566000    
 C   -3.747000      0.8152000     -0.3362000    
 C    4.214700     -0.4876000     -0.4662000    
 C   -4.225700     -0.4787000     -0.4803000    
 C    4.537700       1.808900      0.2114000    
 C   -4.511000       1.798700      0.2746000    
 C    5.489400     -0.8053000      3.0000000E-03
 C   -5.497300     -0.7961000     -2.7999999E-03
 C    5.812200       1.491400      0.6805000    
 C   -5.782500       1.481200      0.7520000    
 C    6.288200      0.1844000      0.5762000    
 C   -6.275600      0.1839000      0.6134000    
 H   4.0000002E-03  -1.133500       1.006400    
 H   1.0300000E-02 -0.4939000       2.651000    
 H    2.124200     -7.1000000E-03   1.534100    
 H    1.290100       1.486700       1.942700    
 H   -1.267500       1.492000       1.949500    
 H   -2.109500     -9.9999997E-05   1.548600    
 H    2.404400       1.483300      -1.887500    
 H   -2.405900       1.477700      -1.876200    
 H    3.574100      -1.242300     -0.9173000    
 H   -3.600600      -1.225900     -0.9642000    
 H    4.178600       2.831100      0.2983000    
 H   -4.138300       2.813300      0.3888000    
 H    6.433900       2.262100       1.126900    
 H   -6.388300       2.244500       1.231900    
 H    7.286000     -2.6100000E-02  0.9524000    
 H   -7.270400     -2.6900001E-02  0.9975000    


%chk=000086811-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000086811

0 1
O -0.136152 1.120904 -1.886043
O 7.683490 -1.145691 1.692706
O -8.408977 -0.368958 -1.400542
O 5.585288 -1.857744 2.228896
O -6.775954 -0.180541 -2.980648
N 6.401325 -1.120459 1.551665
N -7.181148 -0.191245 -1.756157
C 0.307104 -0.477947 1.963755
C 1.366768 0.548130 1.505531
C -1.104243 0.044816 1.622258
C 1.334692 0.705032 -0.004123
C -1.255453 0.488674 0.171797
C -0.026402 0.799228 -0.656134
C 2.411956 0.817051 -0.848739
C -2.454691 0.608072 -0.495869
C 3.858353 0.730910 -0.572354
C -3.836236 0.403971 -0.039930
C 4.430504 -0.154683 0.380310
C -4.828011 0.215502 -1.046620
C 4.743641 1.535047 -1.352594
C -4.269191 0.415872 1.322895
C 5.828005 -0.180987 0.550399
C -6.170373 0.014629 -0.682432
C 6.140352 1.498301 -1.158019
C -5.625639 0.224505 1.661653
C 6.705005 0.636970 -0.194214
C -6.598124 0.011535 0.663327
H 0.488988 -1.451995 1.470591
H 0.383098 -0.644148 3.054074
H 2.367336 0.279585 1.874133
H 1.123140 1.529476 1.967388
H -1.320253 0.905681 2.291705
H -1.859703 -0.729746 1.854275
H 2.146285 1.032302 -1.895797
H -2.350650 0.878399 -1.557844
H 3.823110 -0.856821 0.954820
H -4.558077 0.216821 -2.107237
H 4.318900 2.201199 -2.112312
H -3.553429 0.613242 2.122914
H 6.791441 2.136263 -1.763739
H -5.928676 0.248105 2.713293
H 7.782335 0.577558 -0.021041
H -7.654533 -0.142216 0.896901


