%chk=000040978.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000040978

0 1
 O    5.434600      0.5598000      0.1609000    
 O    4.615200      -2.084500      0.2184000    
 O    3.555800       2.571600     -0.1452000    
 O  -0.2915000      -1.821100     -0.7875000    
 O   -7.025300     -0.7020000     -0.8378000    
 O   -7.269600      0.6649000      0.9500000    
 N  -0.8948000      0.2747000      9.0899996E-02
 C    1.438400     -0.3779000     -0.2082000    
 C    4.112500      0.2497000      3.7999999E-02
 C    3.703200      -1.083500      6.7900002E-02
 C    3.169100       1.265600     -0.1163000    
 C    2.350700      -1.400900     -5.6699999E-02
 C    1.816500      0.9480000     -0.2409000    
 C  -3.0000000E-03 -0.7163000     -0.3405000    
 C   -2.288900      0.2273000      0.1083000    
 C   -3.017800       1.320200      0.5774000    
 C   -2.954100     -0.9122000     -0.3442000    
 C   -5.076900      0.1342000      0.1416000    
 C   -4.411800       1.273600      0.5942000    
 C   -4.348200     -0.9587000     -0.3275000    
 C    5.928400      0.7763000       1.480700    
 C    4.114300      -3.419700      0.2388000    
 C    3.873600       3.125300      -1.420500    
 C   -6.530400      8.5699998E-02  0.1580000    
 H    1.979400      -2.418500     -3.0999999E-02
 H    1.117900       1.763000     -0.4003000    
 H  -0.5128000       1.127400      0.4894000    
 H   -2.513000       2.215300      0.9320000    
 H   -2.461700      -1.798300     -0.7190000    
 H   -4.965300       2.134400      0.9604000    
 H   -4.840100      -1.863700     -0.6749000    
 H    5.807300     -0.1247000       2.090300    
 H    5.413500       1.619800       1.951200    
 H    6.994100       1.011500       1.413200    
 H    3.641500      -3.688800     -0.7119000    
 H    3.455600      -3.591000       1.097100    
 H    4.975600      -4.084300      0.3633000    
 H    2.999800       3.097300      -2.079100    
 H    4.707400       2.584300      -1.878900    
 H    4.170100       4.167900      -1.277000    
 H   -8.005700     -0.7333000     -0.8245000    


%chk=000040978-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000040978

0 1
O 5.411862 0.852228 0.104505
O 4.705161 -1.869136 0.217781
O 3.370993 2.810043 -0.213841
O -0.410427 -1.948542 -0.385669
O -7.364253 -1.126924 -0.305512
O -7.529507 1.111536 0.291442
N -1.072804 0.254913 0.087365
C 1.317194 -0.269012 -0.103336
C 4.074407 0.440308 0.044905
C 3.668278 -0.931759 0.100695
C 3.077622 1.438580 -0.155630
C 2.303900 -1.274803 0.038915
C 1.711430 1.083808 -0.224244
C -0.111677 -0.735477 -0.156778
C -2.483911 0.147828 0.057197
C -3.230964 1.322553 0.366184
C -3.170940 -1.057234 -0.264518
C -5.322454 0.098674 0.030704
C -4.631994 1.297516 0.353449
C -4.577053 -1.069090 -0.276082
C 6.218456 0.398533 1.262436
C 4.333231 -3.290194 0.217180
C 4.365376 3.254121 -1.218644
C -6.802713 0.119585 0.029699
H 1.961026 -2.312182 0.079301
H 1.007594 1.901607 -0.412481
H -0.711400 1.174065 0.351969
H -2.705249 2.253362 0.614598
H -2.594288 -1.954625 -0.491744
H -5.214623 2.193813 0.589058
H -5.112467 -1.990125 -0.522763
H 6.338891 -0.695917 1.245722
H 5.740103 0.720985 2.205945
H 7.189449 0.901708 1.141006
H 3.807641 -3.561081 -0.717450
H 3.698111 -3.538784 1.088363
H 5.287111 -3.833520 0.281647
H 3.996150 3.032670 -2.238481
H 5.338028 2.765503 -1.050177
H 4.442967 4.342532 -1.076521
H -8.354656 -1.039665 -0.286095


