%chk=000057769.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000057769

0 1
 O  -0.6129000     -0.6377000      0.6667000    
 O    4.711900       2.235700     -0.9510000    
 O    5.433600      0.1127000      -1.323700    
 N   -4.016800     -0.5123000     -0.7420000    
 C   0.6434000     -0.2655000      0.2653000    
 C   0.9932000       1.084400      0.2304000    
 C    1.572700      -1.236600     -0.1073000    
 C   -2.963300     -0.4379000      0.2697000    
 C   1.2100000E-02   2.138700      0.6249000    
 C    1.217600      -2.686700     -7.4400000E-02
 C   -1.605800     -0.7377000     -0.3458000    
 C    2.272400       1.463100     -0.1770000    
 C    2.851900     -0.8579000     -0.5149000    
 C   -5.319600     -0.7150000     -0.1095000    
 C   -4.028000      0.7011000      -1.558200    
 C   8.3700001E-02   2.466000       2.122200    
 C    1.531900      -3.329700       1.282800    
 C    3.201700      0.4920000     -0.5497000    
 C   -5.681200      0.4551000      0.7897000    
 C   -5.076500      0.6157000      -2.654400    
 C  -0.8942000       3.563800       2.510100    
 C    1.136700      -4.797300       1.320000    
 C    4.535600      0.8859000     -0.9739000    
 H   -2.929000      0.5324000      0.7808000    
 H   -3.126100      -1.184600       1.059200    
 H   0.2121000       3.051500      4.7200002E-02
 H   -1.008900       1.859500      0.3485000    
 H   0.1681000      -2.852800     -0.3288000    
 H    1.776900      -3.213700     -0.8595000    
 H   -1.606100      -1.753300     -0.7554000    
 H   -1.372200     -5.0500002E-02  -1.166200    
 H    2.518000       2.521900     -0.1917000    
 H    3.573000      -1.619800     -0.8016000    
 H   -5.292000      -1.633600      0.4911000    
 H   -6.110800     -0.8969000     -0.8445000    
 H   -3.067600      0.7997000      -2.076300    
 H   -4.145600       1.626700     -0.9834000    
 H  -0.1345000       1.567600       2.712400    
 H    1.099400       2.781600       2.390200    
 H    1.000300      -2.798400       2.081700    
 H    2.602900      -3.239900       1.501700    
 H   -4.952300      0.6418000       1.583000    
 H   -5.860200       1.384700      0.2426000    
 H   -6.624900      0.2224000       1.298200    
 H   -5.019400     -0.3343000      -3.196800    
 H   -6.094200      0.7458000      -2.274300    
 H   -4.909700       1.416300      -3.384000    
 H  -0.6804000       4.489200       1.966000    
 H   -1.924200       3.265300       2.290100    
 H  -0.8226000       3.774700       3.581600    
 H   6.2600002E-02  -4.918200       1.146400    
 H    1.675100      -5.367200      0.5562000    
 H    1.373800      -5.229400       2.297200    
 H    5.614300       2.490800      -1.239300    


%chk=000057769-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000057769

0 1
O -0.548616 -0.318242 0.592842
O 5.187911 1.933751 -1.201322
O 5.635375 -0.331051 -1.435292
N -4.043938 -0.341943 -0.765096
C 0.775959 -0.085605 0.134887
C 1.243573 1.257924 0.054521
C 1.608878 -1.202586 -0.159540
C -2.949177 -0.370802 0.232016
C 0.359525 2.421520 0.471862
C 1.114156 -2.626448 0.031082
C -1.585748 -0.350725 -0.475108
C 2.574886 1.472245 -0.363784
C 2.933240 -0.945856 -0.573542
C -5.182282 -1.242596 -0.452429
C -4.413588 1.035022 -1.181901
C 0.295838 2.590612 2.016525
C 1.204061 -3.085677 1.514574
C 3.420501 0.380645 -0.683164
C -6.049972 -0.849449 0.774600
C -5.227497 1.080402 -2.488233
C -0.621318 3.757530 2.437866
C 0.713499 -4.535559 1.706775
C 4.819528 0.575928 -1.133569
H -2.991031 0.478448 0.953596
H -3.017543 -1.298055 0.829595
H 0.741521 3.357809 0.020839
H -0.673973 2.281126 0.102047
H 0.061278 -2.722605 -0.293355
H 1.714078 -3.314206 -0.595777
H -1.461459 -1.255522 -1.100768
H -1.479090 0.540213 -1.126025
H 2.967231 2.490818 -0.442080
H 3.607939 -1.774392 -0.816503
H -4.766585 -2.256187 -0.295319
H -5.825526 -1.310274 -1.349099
H -3.471509 1.594219 -1.338723
H -4.968010 1.581220 -0.377558
H -0.067304 1.644512 2.459616
H 1.319969 2.755830 2.404610
H 0.601045 -2.395613 2.134288
H 2.252913 -2.993410 1.858324
H -5.440696 -0.793016 1.695556
H -6.543111 0.129005 0.629778
H -6.842083 -1.603717 0.938463
H -4.695328 0.536490 -3.288505
H -6.229325 0.629156 -2.371660
H -5.372231 2.128134 -2.809899
H -0.273203 4.716627 2.009183
H -1.659335 3.591488 2.091464
H -0.647243 3.869144 3.537237
H -0.341547 -4.643314 1.390313
H 1.317356 -5.245005 1.109612
H 0.781162 -4.843717 2.766129
H 6.132746 1.984951 -1.507652


