%chk=000175512.chk
%nprocshared=4
%mem=7500MB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000175512

0 1
 O  -0.7592000       4.234100       1.058600    
 O   -2.324700       2.237700     -0.1338000    
 O    6.683100      0.2816000      0.3269000    
 O   -6.028700     -0.7575000       1.182000    
 N    1.957700       1.967800     -5.2200001E-02
 N    3.903500     -0.1213000      4.0899999E-02
 N   -6.554400      -2.123000     -0.5103000    
 N   -7.389200      -2.417700      0.5515000    
 C    1.907100      0.9516000       1.006000    
 C    3.353400       2.236500     -0.4201000    
 C    2.546000     -0.3594000      0.5409000    
 C    4.039600      0.9686000     -0.9336000    
 C    1.296800       3.197000      0.3849000    
 C  -0.1895000       2.978600      0.6774000    
 C    4.814000      -1.181800     -2.7300000E-02
 C  -0.9676000       2.434700     -0.5187000    
 C    6.201700     -0.9761000      0.1165000    
 C    4.361300      -2.499400     -0.2430000    
 C    7.097900      -2.042600      4.7499999E-02
 C    5.257500      -3.566000     -0.3120000    
 C    6.625900      -3.337500     -0.1668000    
 C   -3.009000       1.242500     -0.7787000    
 C    6.806800      0.7094000       1.681500    
 C   -4.028700      0.5670000     -0.1170000    
 C   -2.677700      0.9156000      -2.089200    
 C   -4.725400     -0.4476000     -0.7735000    
 C   -3.374300     -9.8999999E-02  -2.745700    
 C   -4.398200     -0.7806000      -2.087900    
 C   -5.784000      -1.152600     -9.3400002E-02
 C   -7.046600      -1.597000       1.516800    
 C   -7.595700      -1.463700       2.871800    
 H   0.8797000      0.6991000       1.283500    
 H    2.416100       1.307800       1.911900    
 H    3.912500       2.634300      0.4377000    
 H    3.392700       2.991400      -1.214800    
 H    1.930700     -0.8089000     -0.2492000    
 H    2.563300      -1.050400       1.392900    
 H    5.081200       1.211900      -1.163200    
 H    3.578200      0.6552000      -1.879700    
 H    1.784300       3.625100       1.271600    
 H    1.381700       3.963700     -0.3973000    
 H  -0.3391000       2.332400       1.548000    
 H  -0.5076000       1.492900     -0.8399000    
 H  -0.9465000       3.159900      -1.340900    
 H    3.304300      -2.716800     -0.3746000    
 H   -1.706000       4.086300       1.225200    
 H    8.165300      -1.872400      0.1588000    
 H    4.890800      -4.574100     -0.4820000    
 H    7.323800      -4.167900     -0.2215000    
 H    7.187300       1.734500       1.683100    
 H    5.833500      0.6979000       2.182100    
 H    7.514500      7.2499998E-02   2.221300    
 H   -4.257800      0.8513000      0.9072000    
 H   -1.908500       1.440600      -2.647300    
 H   -3.124300     -0.3539000      -3.771500    
 H   -4.928700      -1.566900      -2.619400    
 H   -8.404400      -2.182100       3.035300    
 H   -6.820000      -1.647300       3.621200    
 H   -7.996700     -0.4578000       3.027500    


%chk=000175512-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000175512

0 1
O -0.884296 3.493606 1.578787
O -2.238802 1.287562 0.377422
O 7.081488 0.642554 -0.687464
O -6.978021 -0.399749 0.976077
N 2.101486 1.541136 0.443865
N 4.464364 -0.140765 0.326148
N -7.688179 -1.162289 -1.054976
N -8.753600 -1.345470 -0.097704
C 2.512154 0.696276 1.594351
C 3.305814 1.965583 -0.316744
C 3.284813 -0.545633 1.117674
C 4.088855 0.742283 -0.814181
C 1.250738 2.688263 0.845757
C -0.199351 2.268108 1.145469
C 5.481620 -1.110856 0.089846
C -0.884420 1.665497 -0.081932
C 6.767600 -0.718545 -0.413902
C 5.286617 -2.495650 0.361842
C 7.763141 -1.674557 -0.689960
C 6.299729 -3.447002 0.113209
C 7.538879 -3.046379 -0.432734
C -3.121285 0.719469 -0.553744
C 7.215150 1.483847 0.522192
C -4.389262 0.359715 -0.042795
C -2.806571 0.500904 -1.917947
C -5.350608 -0.222409 -0.901815
C -3.780460 -0.080908 -2.764617
C -5.047240 -0.444664 -2.275395
C -6.664901 -0.607465 -0.396015
C -8.306234 -0.891958 1.072356
C -8.995100 -0.845445 2.389305
H 1.615225 0.362914 2.146547
H 3.156160 1.274331 2.305047
H 3.980521 2.602050 0.310529
H 2.982927 2.566219 -1.186884
H 2.594651 -1.192172 0.524815
H 3.620954 -1.117232 2.001112
H 5.006432 1.065757 -1.330328
H 3.454239 0.177129 -1.534715
H 1.642800 3.223098 1.743509
H 1.230769 3.421423 0.017657
H -0.231194 1.514010 1.960525
H -0.327802 0.778892 -0.438942
H -0.962319 2.420874 -0.889981
H 4.320447 -2.839635 0.743494
H -1.846851 3.276325 1.681799
H 8.717394 -1.315470 -1.089772
H 6.109144 -4.504204 0.329530
H 8.321562 -3.782198 -0.644281
H 7.435994 2.498155 0.154903
H 6.278225 1.478537 1.109750
H 8.052737 1.119736 1.147435
H -4.609765 0.532403 1.014187
H -1.827705 0.771590 -2.323261
H -3.538247 -0.249344 -3.819228
H -5.803244 -0.895152 -2.924431
H -10.006521 -1.264292 2.277819
H -8.445576 -1.432241 3.146528
H -9.075377 0.191639 2.760258


