%chk=000087662.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000087662

0 1
 O  -0.5310000     -0.9070000      0.2675000    
 O   -4.810600       4.027400       1.761100    
 O   -4.340300      -4.045900      -1.766600    
 N   -2.564900      0.1148000     -4.3600000E-02
 N  -0.4755000       1.259400     -0.3796000    
 C   -3.408900       1.264500     -0.3823000    
 C   -3.233800      -1.111300      0.3208000    
 C   -3.716200       2.098400      0.8560000    
 C   -3.472000      -1.986600     -0.9042000    
 C   -1.178800      0.2222000     -7.1699999E-02
 C   0.7735000     -0.5306000      0.1588000    
 C   0.8026000      0.7844000     -0.2341000    
 C   -4.594600       3.306900      0.5549000    
 C   -4.179200      -3.294900     -0.5704000    
 C    1.743600      -1.542100      0.4639000    
 C    1.978200       1.565300     -0.4641000    
 C    2.989800      -1.187500      0.9921000    
 C    1.453000      -2.891500      0.2356000    
 C    2.559700       1.603600      -1.734800    
 C    2.553000       2.295400      0.5802000    
 C    3.934000      -2.170500       1.288100    
 C    2.397400      -3.874500      0.5318000    
 C    3.706600       2.365100      -1.959100    
 C    3.699900       3.057000      0.3556000    
 C    3.637800      -3.514000       1.058000    
 C    4.276600       3.091800     -0.9140000    
 H   -2.920400       1.885900      -1.143400    
 H   -4.346800      0.9192000     -0.8351000    
 H   -4.199200     -0.8867000      0.7925000    
 H   -2.668800      -1.667000       1.079700    
 H   -2.783200       2.441300       1.322100    
 H   -4.205700       1.480500       1.619700    
 H   -4.060700      -1.442100      -1.653800    
 H   -2.518900      -2.213100      -1.399800    
 H   -5.564500       2.993700      0.1559000    
 H   -4.108500       3.971700     -0.1661000    
 H   -5.167700      -3.104900     -0.1406000    
 H   -3.589100      -3.887100      0.1362000    
 H    3.255200     -0.1635000       1.221000    
 H   0.4969000      -3.201000     -0.1804000    
 H    2.128300       1.042900      -2.561000    
 H    2.115500       2.281600       1.575900    
 H   -5.371900       4.790300       1.540600    
 H   -4.792000      -4.872500      -1.525300    
 H    4.897200      -1.891100       1.705200    
 H    2.167600      -4.920500      0.3515000    
 H    4.155900       2.392200      -2.947600    
 H    4.143800       3.623200       1.169200    
 H    4.372400      -4.279500       1.290100    
 H    5.169600       3.684800      -1.088600    


%chk=000087662-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000087662

0 1
O -0.479050 -1.065553 0.161215
O -4.712188 3.982831 2.091866
O -4.679211 -3.957128 -1.894097
N -2.565007 0.067148 0.010813
N -0.426540 1.203574 -0.212483
C -3.332538 1.305916 -0.234000
C -3.270462 -1.193665 0.311796
C -3.630685 2.091077 1.064823
C -3.615704 -2.010716 -0.956769
C -1.200490 0.132900 -0.017601
C 0.910779 -0.663576 0.077179
C 0.910027 0.710839 -0.180741
C -4.417764 3.374149 0.784102
C -4.368275 -3.299824 -0.614700
C 1.874817 -1.726108 0.354236
C 2.016241 1.647930 -0.455925
C 3.158423 -1.443500 0.906396
C 1.525144 -3.087592 0.113456
C 3.242033 1.229333 -1.043505
C 1.830851 3.030242 -0.176359
C 4.066457 -2.485776 1.180636
C 2.435722 -4.125918 0.396835
C 4.263726 2.163717 -1.313114
C 2.855545 3.961823 -0.443692
C 3.714887 -3.833136 0.925513
C 4.080133 3.533545 -1.008254
H -2.747540 1.936217 -0.927691
H -4.276839 1.025490 -0.740660
H -4.196358 -0.936608 0.862758
H -2.641675 -1.798610 0.989833
H -2.678532 2.351065 1.560408
H -4.215647 1.466597 1.766947
H -4.241398 -1.407231 -1.641251
H -2.686785 -2.266758 -1.497014
H -5.360252 3.137297 0.240656
H -3.813317 4.060606 0.151890
H -5.301645 -3.063581 -0.055878
H -3.735468 -3.953629 0.025076
H 3.433107 -0.410164 1.139779
H 0.537621 -3.318635 -0.298511
H 3.386051 0.177638 -1.311672
H 0.872991 3.352550 0.243572
H -5.171318 4.849821 1.956574
H -5.137584 -4.817859 -1.721361
H 5.046714 -2.246823 1.608376
H 2.148663 -5.165290 0.200815
H 5.199427 1.824691 -1.772051
H 2.698808 5.022167 -0.215138
H 4.422963 -4.640455 1.142344
H 4.876044 4.257076 -1.217628


