%chk=000155980.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000155980

0 1
 O    3.813000      -1.467800     -0.8406000    
 O    5.187300     -0.2387000      0.6524000    
 O   -6.126400      -1.817100      0.1545000    
 N  -0.2969000       3.222100     -0.4847000    
 N  -0.7551000     -0.5006000     -0.1038000    
 C   0.2532000       1.848100     -0.3254000    
 C    2.222500      0.4715000      0.5938000    
 C    1.241900       1.639800      0.8309000    
 C  -0.8775000      0.8720000     -0.1531000    
 C    1.691500     -0.8990000      0.1838000    
 C   -2.195600       1.223900      3.9400000E-02
 C    3.324700      0.8771000     -0.4104000    
 C   -2.614800       2.645900      0.1613000    
 C   -1.393600       3.545200      0.4418000    
 C    2.844500      -1.909700      0.1262000    
 C   0.4180000      -1.262800     -6.8099998E-02
 C   -2.961400      3.7900001E-02  3.5300002E-02
 C   -2.059000      -1.025600     -9.5799997E-02
 C    4.401100     -0.2032000     -0.5349000    
 C   0.7115000       4.272800     -0.5244000    
 C    2.508100      -3.352900     -0.2507000    
 C   -4.342700     -0.2330000      0.1248000    
 C   -2.513700      -2.358100     -0.1405000    
 C   -4.791900      -1.554700      7.3299997E-02
 C   -3.888000      -2.601600     -5.9400000E-02
 C    6.199500      -1.231600      0.5744000    
 H   0.7403000       1.619400      -1.280900    
 H    2.714900      0.3280000       1.567800    
 H    1.848700       2.534100       1.006800    
 H   0.6989000       1.468100       1.771300    
 H    2.878800       1.037500      -1.399300    
 H    3.788300       1.818800     -9.2799999E-02
 H   -3.096400       2.957000     -0.7740000    
 H   -3.347200       2.762400      0.9678000    
 H   -1.711700       4.587700      0.3172000    
 H   -1.062900       3.430200       1.482300    
 H    3.319400      -1.949500       1.115400    
 H   0.2261000      -2.313100     -0.2569000    
 H    5.058200      6.4000003E-02  -1.371200    
 H   0.2751000       5.196800     -0.9203000    
 H    1.532700       4.003900      -1.197700    
 H    1.125100       4.500000      0.4635000    
 H    2.077300      -3.413700      -1.256600    
 H    3.422300      -3.957500     -0.2729000    
 H    1.819000      -3.810200      0.4662000    
 H   -5.049200      0.5868000      0.2266000    
 H   -1.825600      -3.192400     -0.2307000    
 H   -4.245900      -3.627900     -9.5399998E-02
 H    6.833100      -1.073700     -0.3040000    
 H    5.770800      -2.237600      0.5554000    
 H    6.824900      -1.148600       1.467700    
 H   -6.608400     -0.9769000      0.2434000    


%chk=000155980-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000155980

0 1
O 3.849942 -1.483760 -0.916777
O 5.181980 -0.281142 0.711166
O -6.185505 -1.931233 0.268157
N -0.252961 3.229377 -0.419502
N -0.775758 -0.489817 -0.117446
C 0.266173 1.843636 -0.272199
C 2.246430 0.427289 0.652831
C 1.238156 1.570021 0.930403
C -0.907458 0.914150 -0.173230
C 1.688216 -0.916131 0.172354
C -2.244823 1.279123 -0.080080
C 3.363083 0.887336 -0.336313
C -2.659424 2.726479 -0.039131
C -1.438758 3.575947 0.396098
C 2.797281 -1.961181 0.053297
C 0.401369 -1.268612 -0.125806
C -3.018764 0.056107 0.003379
C -2.085587 -1.036665 -0.022171
C 4.427688 -0.197148 -0.538881
C 0.777037 4.271450 -0.502380
C 2.426396 -3.357343 -0.445677
C -4.407783 -0.213753 0.101953
C -2.510592 -2.377756 0.060599
C -4.825368 -1.559182 0.171234
C -3.892873 -2.633619 0.152296
C 6.346494 -1.172212 0.622228
H 0.828546 1.623261 -1.205661
H 2.768023 0.217113 1.612024
H 1.825976 2.482533 1.148211
H 0.646023 1.341341 1.836195
H 2.925671 1.122654 -1.324250
H 3.857071 1.797252 0.051071
H -3.005498 3.072206 -1.033341
H -3.494094 2.881432 0.673733
H -1.651992 4.648915 0.235068
H -1.265476 3.435261 1.492425
H 3.300116 -2.040762 1.042132
H 0.199773 -2.304133 -0.415893
H 5.112464 0.034031 -1.380941
H 0.327783 5.200573 -0.898890
H 1.569275 3.954057 -1.206121
H 1.269444 4.526416 0.469196
H 1.967494 -3.314748 -1.448765
H 3.342880 -3.966882 -0.519578
H 1.733861 -3.861104 0.252227
H -5.137704 0.605833 0.120546
H -1.805583 -3.215019 0.062957
H -4.276597 -3.655756 0.215432
H 7.063770 -0.810226 -0.143447
H 6.042495 -2.205104 0.368814
H 6.821842 -1.148364 1.615023
H -6.763352 -1.128639 0.274234


