%chk=000050832.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000050832

0 1
 O    1.400700      0.8003000       1.588100    
 O    1.506700       2.520800      6.2399998E-02
 N   -2.099200      0.3993000      0.4467000    
 N    6.679100      -1.025300      -1.244400    
 C   -2.664400     -8.7899998E-02 -0.8124000    
 C   -2.237800      -1.550600      -1.059200    
 C   -4.195200      8.2900003E-02 -0.8361000    
 C   -2.743200      -2.565600     -2.6300000E-02
 C   -4.710100       1.518700     -0.6587000    
 C  -0.6470000      0.3332000      0.4179000    
 C   -2.216200      -3.969500     -0.3315000    
 C   -6.230400       1.642000     -0.7618000    
 C  -1.9800000E-02  0.8761000       1.704400    
 C   -2.684400      -4.978100      0.7054000    
 C   -6.683100       3.083200     -0.5815000    
 C  -0.4232000      8.9000002E-02   2.944700    
 C    1.948500       1.495000      0.5562000    
 C    3.190900      0.8332000      8.3899997E-02
 C    4.193700       1.608700     -0.4611000    
 C    3.303900     -0.5368000      0.2040000    
 C    5.360500      0.9869000     -0.9055000    
 C    4.470800      -1.158700     -0.2403000    
 C    5.499300     -0.3967000     -0.7951000    
 H   -2.266300      0.5189000      -1.637500    
 H   -2.651900      -1.846000      -2.034300    
 H   -1.155900      -1.646400      -1.198100    
 H   -4.651200     -0.5279000     -4.7300000E-02
 H   -4.575700     -0.3078000      -1.788800    
 H   -2.381400       1.365000      0.6060000    
 H   -2.419900      -2.272000      0.9790000    
 H   -3.838200      -2.592800     -2.3100000E-02
 H   -4.401900       1.905100      0.3195000    
 H   -4.242700       2.159400      -1.416500    
 H  -0.2790000      0.8761000     -0.4590000    
 H  -0.2811000     -0.6942000      0.3233000    
 H   -1.120100      -3.959900     -0.3507000    
 H   -2.556100      -4.287200      -1.324000    
 H   -6.706200       1.014900      8.9999998E-04
 H   -6.566700       1.277200      -1.739000    
 H  -0.3030000       1.925700       1.857300    
 H   -2.296900      -5.973700      0.4676000    
 H   -2.331200      -4.705900       1.705100    
 H   -3.777300      -5.036000      0.7307000    
 H   -6.246700       3.730500      -1.348900    
 H   -6.389100       3.467100      0.4006000    
 H   -7.772800       3.150300     -0.6600000    
 H   0.1043000      0.4717000       3.825500    
 H  -0.1431000     -0.9658000       2.846800    
 H   -1.498800      0.1500000       3.135000    
 H    4.098700       2.686900     -0.5493000    
 H    2.513100      -1.154600      0.6188000    
 H    6.155000       1.591600      -1.335300    
 H    4.565700      -2.238000     -0.1518000    
 H    7.425300     -0.4734000      -1.646000    
 H    6.780400      -2.028400      -1.163900    


%chk=000050832-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000050832

0 1
O 1.660829 -0.242356 0.802034
O 1.470952 2.086845 0.669207
N -2.063043 -0.238650 0.212384
N 7.702497 1.069094 -0.921734
C -3.013313 -0.613498 -0.873807
C -3.151481 -2.158407 -0.974970
C -4.378182 0.077096 -0.627781
C -3.794556 -2.834656 0.255948
C -4.386411 1.596171 -0.919278
C -0.626280 -0.357220 -0.113350
C -3.717368 -4.377103 0.200499
C -5.767102 2.247722 -0.675393
C 0.213687 -0.326968 1.183893
C -4.383412 -5.057120 1.416518
C -5.780503 3.761416 -0.979091
C 0.064595 -1.580271 2.043231
C 2.173042 1.044529 0.558776
C 3.603141 1.011724 0.179947
C 4.265667 2.241275 -0.085977
C 4.339622 -0.199476 0.069658
C 5.618971 2.267759 -0.449696
C 5.694282 -0.185142 -0.294200
C 6.359456 1.050786 -0.560948
H -2.632653 -0.252877 -1.864595
H -3.741171 -2.393228 -1.885930
H -2.146351 -2.599572 -1.137796
H -4.688275 -0.104183 0.421014
H -5.137087 -0.411402 -1.271582
H -2.273726 0.698245 0.582913
H -3.282768 -2.465158 1.166466
H -4.857879 -2.531428 0.343779
H -3.632119 2.118272 -0.292947
H -4.080762 1.767577 -1.972472
H -0.263791 0.449341 -0.792012
H -0.453774 -1.321482 -0.625389
H -2.653024 -4.685218 0.140847
H -4.196656 -4.737349 -0.733522
H -6.069652 2.076427 0.377813
H -6.525140 1.735674 -1.303009
H -0.032760 0.590555 1.752929
H -4.306909 -6.158885 1.359872
H -3.906440 -4.732230 2.360575
H -5.456883 -4.795466 1.477776
H -5.504968 3.955892 -2.032893
H -5.056178 4.300596 -0.339721
H -6.779230 4.201794 -0.803528
H 0.609781 -1.477568 2.997138
H 0.455980 -2.465083 1.509607
H -1.007475 -1.739573 2.251825
H 3.691562 3.169933 0.001210
H 3.832926 -1.146626 0.274936
H 6.115897 3.224621 -0.650737
H 6.250737 -1.126952 -0.374873
H 8.179776 1.945956 -1.110575
H 8.233323 0.206347 -1.000587


