%chk=000168226.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000168226

0 1
 O   -6.319800      0.1114000      0.8608000    
 O    6.066600      0.3994000       2.024400    
 O    5.957500       1.433000      5.5000000E-03
 N   -4.206500     -0.7600000      0.7114000    
 C  -0.1208000     -0.6127000     -0.5271000    
 C  -0.8742000      0.6915000     -0.1718000    
 C    1.334600     -0.1122000     -0.3755000    
 C  -0.1516000       1.766400     -0.9780000    
 C    1.310900       1.288600      -1.028100    
 C   -2.387400      0.5444000     -0.3537000    
 C  -0.5456000      -1.695900      0.4831000    
 C    2.426000      -1.010400     -0.9388000    
 C  -0.4028000      -1.124300      -1.963200    
 C   -2.871100     -0.6991000      0.3745000    
 C   -3.156600       1.766400      0.1455000    
 C   -2.037400      -1.696500      0.7368000    
 C    3.808200     -0.3530000     -0.7458000    
 C    2.353500      -2.396300     -0.2888000    
 C   -4.645300       1.538300     -7.5099997E-02
 C   -5.135200      0.2486000      0.5501000    
 C    4.134300     -1.9099999E-02  0.7112000    
 C    5.462700      0.6912000      0.8426000    
 H  -0.6896000      0.9223000      0.8914000    
 H    1.497000      2.8899999E-02  0.7012000    
 H  -0.2337000       2.751100     -0.5063000    
 H  -0.5585000       1.851600      -1.991700    
 H    1.647800       1.264000      -2.070900    
 H    1.962800       1.983600     -0.4876000    
 H   -2.616500      0.4240000      -1.421100    
 H  -4.6399999E-02  -1.551200       1.448800    
 H  -0.2868000      -2.697800      0.1302000    
 H    2.297900      -1.140700      -2.020600    
 H  -0.1387000     -0.3862000      -2.726900    
 H   0.1582000      -2.036400      -2.187500    
 H   -1.457100      -1.377700      -2.112100    
 H   -2.843200       2.668500     -0.3918000    
 H   -2.959200       1.936300       1.212000    
 H   -2.424700      -2.552900       1.284500    
 H    4.584300      -1.021700      -1.141400    
 H    3.874400      0.5555000      -1.356900    
 H    2.204900      -2.344300      0.7941000    
 H    1.575200      -3.017000     -0.7355000    
 H    3.290800      -2.939600     -0.4584000    
 H   -4.874200       1.498500      -1.146300    
 H   -5.209500       2.370300      0.3603000    
 H   -4.531900      -1.614500       1.156400    
 H    3.401000      0.6522000       1.164800    
 H    4.173200     -0.9427000       1.299000    
 H    6.931000      0.8542000       2.115000    


%chk=000168226-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000168226

0 1
O -6.504806 0.058056 0.708751
O 6.075109 0.741578 2.111668
O 6.463122 0.838664 -0.174450
N -4.336218 -0.747950 0.631130
C -0.154103 -0.631438 -0.481163
C -0.926868 0.688278 -0.137123
C 1.330224 -0.126875 -0.343661
C -0.188541 1.795508 -0.925580
C 1.295223 1.305460 -0.987770
C -2.445868 0.562958 -0.343630
C -0.602330 -1.708859 0.544970
C 2.478627 -1.006336 -0.916718
C -0.460719 -1.125279 -1.920359
C -2.936154 -0.689389 0.377553
C -3.247736 1.797082 0.140228
C -2.106382 -1.699636 0.772858
C 3.869206 -0.316610 -0.773745
C 2.516701 -2.438007 -0.323525
C -4.757002 1.587092 -0.107260
C -5.282754 0.259996 0.439115
C 4.321927 -0.083207 0.681748
C 5.704015 0.532881 0.770756
H -0.757197 0.872717 0.947336
H 1.504783 -0.009164 0.749593
H -0.279614 2.783449 -0.440325
H -0.613123 1.897458 -1.942980
H 1.646235 1.256706 -2.036574
H 1.975100 1.999178 -0.460947
H -2.651288 0.446192 -1.431164
H -0.081104 -1.540623 1.513372
H -0.298071 -2.721066 0.213951
H 2.306711 -1.101133 -2.010237
H -0.280101 -0.342440 -2.679231
H 0.173388 -1.992221 -2.179516
H -1.510897 -1.455992 -2.009739
H -2.902802 2.702185 -0.392297
H -3.059001 1.960734 1.219791
H -2.531427 -2.565542 1.302534
H 4.627220 -0.942182 -1.283228
H 3.869321 0.651205 -1.307291
H 2.489251 -2.426663 0.782517
H 1.660658 -3.044291 -0.665850
H 3.439449 -2.963253 -0.634740
H -4.972697 1.606581 -1.194512
H -5.368556 2.385497 0.346942
H -4.715845 -1.613294 1.030213
H 3.626546 0.584196 1.226191
H 4.341074 -1.028205 1.257683
H 6.985818 1.144003 2.137417


