%chk=000058080.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000058080

0 1
 O   -2.379500      -1.017400     -0.6221000    
 O    5.139600     -0.2178000       1.061700    
 O  -0.6390000      -2.475900     -0.4006000    
 N   -5.161100     -0.9326000     -1.6899999E-02
 N  -0.2996000     -0.1424000     -6.6900000E-02
 C   -4.636500      -1.593500      -1.202600    
 C   -6.251600     -2.0800000E-02 -0.3713000    
 C   -5.624700      -1.917900      0.9630000    
 C   -3.233600      -2.120500     -0.9470000    
 C   -5.795200       1.012000      -1.387700    
 C   -6.111000      -1.241700       2.233700    
 C    1.066200     -0.1621000      0.2172000    
 C    7.354900     -5.8600001E-02  0.1668000    
 C   -1.066100      -1.322500     -0.3603000    
 C    5.996400     -0.7358000      5.3500000E-02
 C  -0.9888000       1.149100     -6.6000000E-02
 C    8.324300     -0.5581000     -0.9006000    
 C    3.797500     -0.1998000      0.7837000    
 C    1.881400      -1.145000     -0.3444000    
 C    1.616800      0.8017000       1.061900    
 C    3.247200      -1.163900     -6.1000001E-02
 C    2.982300      0.7829000       1.345200    
 C    9.665700      0.1517000     -0.8110000    
 C  -0.5853000       2.155500     -0.9437000    
 C   -2.049400       1.373300      0.8119000    
 C   -1.242100       3.386000     -0.9433000    
 C   -2.706300       2.603900      0.8120000    
 C   -2.302600       3.610200     -6.5600000E-02
 H   -4.520000     -0.9131000      -2.049700    
 H   -5.294400      -2.403300      -1.542400    
 H   -7.127200     -0.5572000     -0.7580000    
 H   -6.571700      0.5503000      0.5061000    
 H   -4.803600      -2.581700       1.253000    
 H   -6.423900      -2.551500      0.5575000    
 H   -3.206500      -2.864200     -0.1441000    
 H   -2.859900      -2.594800      -1.862800    
 H   -4.802200       1.411100      -1.157300    
 H   -5.800700      0.6273000      -2.412200    
 H   -6.490800       1.859400      -1.380400    
 H   -5.394700     -0.4962000       2.596000    
 H   -7.088400     -0.7660000       2.108300    
 H   -6.228800      -1.991100       3.024500    
 H    7.225600       1.027900      8.2900003E-02
 H    7.768000     -0.2345000       1.168000    
 H    5.605200     -0.5350000     -0.9525000    
 H    6.102800      -1.817800      0.1934000    
 H    8.478600      -1.637500     -0.7877000    
 H    7.899400     -0.3937000      -1.897700    
 H    1.509500      -1.887000      -1.043000    
 H    1.014800       1.569300       1.540400    
 H    3.843500      -1.955400     -0.5051000    
 H    3.405200       1.532900       2.007900    
 H    9.549200       1.230700     -0.9548000    
 H    10.13400     -1.6600000E-02  0.1641000    
 H    10.34500     -0.2225000      -1.583300    
 H   0.2333000       1.993900      -1.640400    
 H   -2.367400      0.6064000       1.513600    
 H  -0.9293000       4.168800      -1.628000    
 H   -3.530900       2.778900       1.496800    
 H   -2.814400       4.568100     -6.5600000E-02


%chk=000058080-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000058080

0 1
O -2.778436 -0.450945 -2.003873
O 4.539486 0.314253 0.702978
O -1.212731 -1.881222 -0.995400
N -4.495522 -1.205487 0.380327
N -0.833116 0.447039 -1.155108
C -4.907578 -1.301624 -1.041067
C -5.605267 -0.664393 1.220144
C -3.967177 -2.491531 0.927532
C -3.764497 -1.554089 -2.037379
C -5.808078 0.857446 1.090193
C -3.070827 -2.289820 2.163198
C 0.539977 0.365559 -0.697076
C 6.834452 -0.417835 0.910097
C -1.577343 -0.724783 -1.332490
C 5.502747 -0.685993 0.206053
C -1.423028 1.760906 -1.335355
C 7.936050 -1.410118 0.470026
C 3.231304 0.270474 0.196677
C 1.427229 -0.610794 -1.204274
C 1.011016 1.294510 0.267273
C 2.764963 -0.667200 -0.758416
C 2.345236 1.252480 0.705194
C 9.283780 -1.140973 1.173327
C -0.761526 2.720921 -2.137105
C -2.624335 2.097723 -0.667094
C -1.306706 4.016611 -2.273581
C -3.168557 3.390627 -0.817238
C -2.512577 4.356686 -1.617054
H -5.397940 -0.351671 -1.318824
H -5.664343 -2.116315 -1.208025
H -6.566903 -1.192306 0.991042
H -5.368015 -0.893987 2.273831
H -3.350438 -2.970690 0.148907
H -4.804376 -3.196176 1.166550
H -3.235091 -2.505206 -1.856463
H -4.168222 -1.549047 -3.064343
H -4.907131 1.395777 1.432815
H -6.019080 1.166281 0.050392
H -6.662740 1.180178 1.713788
H -2.201333 -1.666117 1.894856
H -3.605087 -1.805364 3.000948
H -2.697944 -3.266393 2.524054
H 7.152667 0.619899 0.692858
H 6.681646 -0.484621 2.004378
H 5.608396 -0.586056 -0.895129
H 5.130614 -1.707152 0.434347
H 7.607935 -2.447566 0.685265
H 8.074369 -1.346780 -0.628790
H 1.071112 -1.343310 -1.932732
H 0.330954 2.050866 0.670988
H 3.425265 -1.439199 -1.163504
H 2.718805 1.964930 1.446764
H 9.649267 -0.121039 0.950785
H 9.181969 -1.228651 2.271228
H 10.059074 -1.857689 0.846706
H 0.170659 2.450818 -2.644082
H -3.125052 1.338884 -0.057060
H -0.792651 4.756466 -2.897207
H -4.101327 3.646933 -0.301537
H -2.934800 5.361773 -1.726212


