%chk=000023039.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000023039

0 1
 O   -4.799000      0.9793000      0.5401000    
 O   -2.363500      -2.679900     -0.9477000    
 O   -3.890300      -3.076100      0.7467000    
 N   2.1299999E-02   1.870100     -0.2344000    
 N    2.123300      -1.155700      0.3443000    
 C   -2.404000       1.440100      0.1963000    
 C   -2.155500     -4.4999998E-03 -0.2912000    
 C   -1.353500       2.363200     -0.4240000    
 C  -0.8124000     -0.4686000      0.2903000    
 C   -3.857500       1.845800     -0.1243000    
 C   0.3161000      0.5052000      4.1000001E-02
 C   -3.324400     -0.8715000      8.5699998E-02
 C    1.600100      8.9000002E-02  9.1499999E-02
 C   -4.195200       3.265400      0.3212000    
 C   -4.496000     -0.3558000      0.4778000    
 C    1.088400       2.764000     -0.4533000    
 C    2.677400       1.044000     -0.1317000    
 C    2.390700       2.428600     -0.4137000    
 C   -3.246200      -2.332200      2.3000000E-02
 C    3.845700      0.4118000     -2.5699999E-02
 C    3.408800     -0.9716000      0.2761000    
 C    5.226200      0.7578000     -0.1286000    
 C    4.478400      -1.976500      0.4653000    
 C    6.141500     -0.2072000      5.5100001E-02
 C    5.756500      -1.577500      0.3529000    
 C   -2.176800      -4.087000      -1.132400    
 H   -2.283400       1.460600       1.290900    
 H   -2.083800     -4.9000001E-03  -1.389000    
 H   -1.539800       2.474400      -1.499900    
 H   -1.439000       3.359800      2.5699999E-02
 H  -0.5315000      -1.443700     -0.1202000    
 H  -0.9123000     -0.6018000       1.376600    
 H   -4.042200       1.772100      -1.204700    
 H   -3.999600       3.395700       1.391200    
 H   -3.625500       4.014500     -0.2355000    
 H   -5.261300       3.469200      0.1700000    
 H   -5.353100     -0.9350000      0.7954000    
 H   0.7758000       3.779400     -0.6715000    
 H    3.181300       3.146100     -0.5901000    
 H    5.517400       1.777400     -0.3499000    
 H    4.206900      -3.000500      0.6877000    
 H    7.201200      1.3800000E-02 -1.4400000E-02
 H    6.561100      -2.293900      0.4868000    
 H   -1.449500      -4.230500      -1.935900    
 H   -3.120000      -4.559300      -1.422900    
 H   -1.783100      -4.539400     -0.2172000    


%chk=000023039-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000023039

0 1
O -4.819569 0.993105 0.614218
O -2.207461 -2.778680 -0.838464
O -4.180087 -3.164169 0.345861
N 0.011388 1.904098 -0.274999
N 2.100615 -1.089909 0.334638
C -2.429534 1.459479 0.195000
C -2.174724 0.017384 -0.326368
C -1.393172 2.409938 -0.417784
C -0.814823 -0.427257 0.260011
C -3.872836 1.915560 -0.098009
C 0.286067 0.576875 0.008800
C -3.343502 -0.882165 0.056051
C 1.641719 0.184445 0.068109
C -4.241804 3.318268 0.381639
C -4.515983 -0.353982 0.535855
C 1.021342 2.848091 -0.505291
C 2.720654 1.159429 -0.170465
C 2.371619 2.497971 -0.455285
C -3.318433 -2.356020 -0.090114
C 3.930409 0.402356 -0.033326
C 3.491397 -0.959773 0.272527
C 5.315639 0.709817 -0.135141
C 4.458964 -1.985707 0.469224
C 6.249001 -0.319146 0.062931
C 5.818557 -1.655589 0.362637
C -2.101652 -4.241252 -1.051611
H -2.306457 1.453046 1.298071
H -2.074638 0.043525 -1.432878
H -1.597499 2.552662 -1.498537
H -1.432505 3.398955 0.070426
H -0.487979 -1.391820 -0.156298
H -0.912199 -0.591423 1.353181
H -4.087747 1.798444 -1.181722
H -3.973091 3.456162 1.443751
H -3.730535 4.090595 -0.219862
H -5.328949 3.472931 0.278637
H -5.337573 -0.983142 0.890223
H 0.678611 3.861909 -0.720892
H 3.121700 3.273844 -0.637003
H 5.653682 1.728130 -0.362604
H 4.131440 -3.004699 0.698837
H 7.321746 -0.107367 -0.009891
H 6.576883 -2.433746 0.511421
H -1.159590 -4.375505 -1.601168
H -2.962965 -4.603697 -1.637786
H -2.076428 -4.767770 -0.083156


