%chk=000178762.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000178762

0 1
 O    2.616600       1.212000      -1.372900    
 O  -0.7521000     -0.9141000     -0.6036000    
 O   0.8904000       3.677200      -1.013000    
 O    5.285500       1.872000     -0.8333000    
 O   -2.708100       2.810200       1.408500    
 O    1.723100      -4.360400       1.120300    
 N   -3.858100     -0.7839000      -1.003000    
 N    1.517800     -0.5603000     -0.2391000    
 N   0.4487000      -2.657800      0.2567000    
 C    1.403200      0.7887000     -0.7299000    
 C    1.144300       1.763700      0.4082000    
 C    1.781800       3.033400     -0.1056000    
 C   -1.883000      -1.468600      4.7699999E-02
 C    2.982000       2.518100     -0.8860000    
 C   -2.472700      -2.639400     -0.7798000    
 C   -2.963900     -0.4671000     -2.3399999E-02
 C   -3.525200      -2.003800      -1.712000    
 C   -3.388900      0.6896000      0.5744000    
 C    4.229300       2.364900     -2.5300000E-02
 C   0.4274000      -1.431100     -0.1719000    
 C   -4.859700      0.1146000      -1.077100    
 C   -4.595700       1.060400     -9.7999997E-02
 C    2.721800      -1.092100      0.2025000    
 C   -2.740200       1.409100       1.684700    
 C    2.865300      -2.341000      0.6652000    
 C    1.638300      -3.208400      0.7022000    
 C    4.159800      -2.914100       1.140600    
 C   -2.087700       3.528400       2.462900    
 H   0.6204000      0.8749000      -1.493000    
 H   7.5400002E-02   1.861600      0.6099000    
 H    1.640700       1.444000       1.332100    
 H    2.041200       3.748600      0.6800000    
 H   -1.684500      -1.751400       1.089000    
 H    3.204600       3.134400      -1.764200    
 H   -1.727500      -3.202000      -1.349900    
 H   -2.983000      -3.336200     -0.1022000    
 H   -4.420400      -2.619000      -1.828200    
 H   -3.104700      -1.720200      -2.681100    
 H    4.538700       3.332200      0.3820000    
 H    4.086700       1.672900      0.8090000    
 H   -5.666200      3.0400001E-02  -1.791900    
 H   -5.211800       1.924700      0.1103000    
 H    3.570200     -0.4241000      0.1543000    
 H   -1.719400       1.043100       1.841100    
 H   -3.309200       1.236700       2.606400    
 H   0.1023000       3.940800     -0.5079000    
 H    4.996200       1.023200      -1.209300    
 H    4.433500      -3.789200      0.5424000    
 H    4.978000      -2.190100       1.065200    
 H    4.081000      -3.219500       2.189000    
 H   -1.051400       3.202400       2.594900    
 H   -2.086700       4.590200       2.202400    
 H   -2.644700       3.399500       3.396000    


%chk=000178762-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000178762

0 1
O 2.644034 1.151484 -1.003971
O -0.669918 -0.939384 -0.203687
O 0.248833 3.312203 -0.478306
O 4.997541 2.695674 -1.260093
O -1.916488 2.739249 1.218457
O 1.765954 -4.706366 1.281752
N -3.711912 -0.695626 -1.162197
N 1.617093 -0.843968 -0.103154
N 0.490076 -2.875055 0.540612
C 1.428708 0.594444 -0.395782
C 1.207749 1.463688 0.857200
C 1.429280 2.870075 0.263480
C -2.001920 -1.494767 0.253953
C 2.576866 2.645128 -0.761767
C -2.499140 -2.655179 -0.657273
C -2.983375 -0.396639 -0.010956
C -3.331742 -1.979800 -1.787708
C -3.355451 0.892578 0.420211
C 3.969068 3.066983 -0.286904
C 0.486619 -1.637289 0.100940
C -4.551216 0.359413 -1.485360
C -4.355475 1.354838 -0.512606
C 2.865697 -1.423813 0.156970
C -2.855673 1.635958 1.616445
C 2.971563 -2.723284 0.600981
C 1.736021 -3.518956 0.840974
C 4.298458 -3.389439 0.862614
C -1.755650 3.725248 2.296677
H 0.581031 0.690351 -1.093029
H 0.199970 1.349528 1.284031
H 1.972956 1.218737 1.616755
H 1.714498 3.617445 1.033038
H -1.867048 -1.814150 1.300292
H 2.314530 3.123073 -1.721483
H -1.658233 -3.259596 -1.026215
H -3.145290 -3.314573 -0.051313
H -4.222048 -2.567920 -2.068306
H -2.727212 -1.795127 -2.694538
H 4.024657 4.165777 -0.202120
H 4.182197 2.615353 0.707138
H -5.215313 0.333066 -2.346186
H -4.870729 2.313979 -0.473520
H 3.721677 -0.776297 -0.041018
H -2.323565 0.965081 2.322519
H -3.697446 2.115906 2.157393
H -0.588496 3.040358 0.011715
H 4.836921 1.750729 -1.517302
H 4.413252 -4.282981 0.221996
H 5.145762 -2.706353 0.679114
H 4.345987 -3.754712 1.904509
H -1.337962 3.262766 3.215009
H -1.059658 4.489517 1.915938
H -2.726641 4.200743 2.540384


