%chk=000057814.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000057814

0 1
 O   -4.502400     -0.2291000     -4.0899999E-02
 O    1.337400       1.946400      0.9188000    
 O    8.032800      0.9476000      0.5196000    
 O    8.212900      -1.104600     -0.4407000    
 N    1.864900     -0.1302000     -4.9199998E-02
 C   -2.255700      -1.008600      0.1905000    
 C   -2.720300       1.358800      6.2799998E-02
 C   -3.169500      3.8400002E-02  7.0299998E-02
 C   -2.717400      -2.428700      0.2011000    
 C   -3.683000       2.493000     -6.7100003E-02
 C  -0.8925000     -0.7350000      0.3031000    
 C   -1.357100       1.632400      0.1756000    
 C  -0.4432000      0.5854000      0.2956000    
 C   -2.769300      -3.031800      -1.208800    
 C   -3.929000       2.879400      -1.531400    
 C    1.009400      0.8777000      0.4149000    
 C   -3.207500      -4.487500      -1.187000    
 C   -4.935500       4.011900      -1.657700    
 C   -5.248500     -0.3106000       1.171000    
 C    3.260000     -0.1437000     -4.1800000E-02
 C   -6.683100     -0.5511000      0.8358000    
 C    3.949600      -1.244300     -0.5508000    
 C    3.965100      0.9429000      0.4758000    
 C    5.344300      -1.258100     -0.5423000    
 C    5.359900      0.9289000      0.4842000    
 C    6.049500     -0.1715000     -2.4900001E-02
 C   -7.375500      -1.621700       1.240300    
 C    7.503700     -0.1862000     -1.6799999E-02
 H   -2.037400      -3.025200      0.8245000    
 H   -3.694400      -2.536300      0.6803000    
 H   -4.637600       2.271600      0.4185000    
 H   -3.292300       3.364500      0.4755000    
 H  -0.2094000      -1.570100      0.4303000    
 H   -1.012200       2.663700      0.1611000    
 H   -3.462700      -2.458500      -1.836100    
 H   -1.782700      -2.963100      -1.683500    
 H   -2.986100       3.182000      -2.003200    
 H   -4.298600       2.011800      -2.091600    
 H   -4.207500      -4.588800     -0.7534000    
 H   -2.514000      -5.096800     -0.5988000    
 H   -3.235700      -4.890500      -2.204200    
 H   -5.089100       4.267400      -2.710800    
 H   -4.583300       4.908500      -1.137800    
 H   -5.902800       3.725300      -1.232800    
 H   -5.172000      0.6259000       1.734100    
 H   -4.853500      -1.106300       1.812300    
 H    1.448900     -0.9493000     -0.4835000    
 H   -7.186800      0.1979000      0.2303000    
 H    3.413100      -2.098300     -0.9567000    
 H    3.504400       1.829700      0.8873000    
 H    5.863000      -2.125000     -0.9435000    
 H    5.870300       1.795100      0.8962000    
 H   -8.418000      -1.737600      0.9648000    
 H   -6.919800      -2.396300       1.847100    
 H    9.013600      0.9279000      0.5198000    


%chk=000057814-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000057814

0 1
O -4.499057 -0.346639 -0.029372
O 1.433892 2.088839 0.796132
O 8.347681 0.963416 0.633525
O 8.418497 -1.152351 -0.321781
N 2.005659 -0.035234 -0.027601
C -2.185776 -1.117226 0.163118
C -2.700121 1.320077 0.104638
C -3.114472 -0.041870 0.101767
C -2.652978 -2.561223 0.090855
C -3.699890 2.452006 -0.064520
C -0.810030 -0.800938 0.246252
C -1.316989 1.588552 0.196539
C -0.361965 0.545248 0.261530
C -2.999056 -2.999338 -1.360927
C -4.126740 2.640917 -1.548550
C 1.083989 0.943083 0.378219
C -3.486123 -4.461690 -1.427155
C -5.147305 3.785273 -1.719426
C -5.251982 -0.380247 1.262828
C 3.419757 0.000712 0.026008
C -6.719944 -0.377274 0.934968
C 4.117769 -1.139945 -0.469330
C 4.155809 1.102696 0.547204
C 5.518110 -1.183888 -0.442026
C 5.560712 1.045755 0.571361
C 6.257057 -0.089413 0.081482
C -7.608772 -1.277143 1.421960
C 7.734595 -0.181976 0.092539
H -1.866189 -3.228880 0.493784
H -3.555250 -2.711557 0.712984
H -4.613275 2.267985 0.532171
H -3.255674 3.395296 0.307011
H -0.103499 -1.635558 0.349781
H -0.954598 2.622142 0.220795
H -3.780699 -2.322581 -1.752670
H -2.106236 -2.868210 -2.003869
H -3.226162 2.843863 -2.160336
H -4.557682 1.690505 -1.915570
H -4.400186 -4.601575 -0.819707
H -2.717444 -5.160542 -1.045424
H -3.724304 -4.756340 -2.465351
H -5.436984 3.906778 -2.779061
H -4.731304 4.749379 -1.370586
H -6.068459 3.587174 -1.138838
H -4.973174 0.515188 1.857145
H -4.967549 -1.283222 1.838990
H 1.607479 -0.878004 -0.447767
H -7.052177 0.430934 0.268924
H 3.554244 -1.990577 -0.873781
H 3.617013 1.976867 0.914720
H 6.063271 -2.055033 -0.819141
H 6.133373 1.887182 0.971209
H -8.676074 -1.213935 1.184382
H -7.296529 -2.100525 2.076566
H 9.333140 0.832369 0.609599


