%chk=000037930.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000037930

0 1
 O    1.548400      0.3231000     -0.5454000    
 O   0.6330000       1.428200       1.235300    
 O   -5.347900     -0.9779000     -0.3786000    
 N    3.774500      -1.408400      0.1264000    
 N  -0.6567000      0.1125000     -0.2090000    
 C    3.914200     -0.1594000     -0.6281000    
 C    2.831100      0.8416000     -0.1972000    
 C    5.320800      0.4176000     -0.4250000    
 C    3.013200       2.193500     -0.8919000    
 C    5.483500       1.763600      -1.127300    
 C    4.413700       2.756900     -0.6861000    
 C    3.983900      -1.166500       1.552100    
 C    4.717300      -2.408900     -0.3692000    
 C    3.843400      -2.449700       2.353200    
 C    4.473800      -2.713000      -1.837600    
 C   0.5037000      0.6946000      0.2629000    
 C   -1.963500      0.2255000      0.3175000    
 C   -3.023600     -0.4400000     -0.2980000    
 C   -2.193100       1.002600       1.452800    
 C   -4.313100     -0.3284000      0.2217000    
 C   -3.482600       1.114300       1.972700    
 C   -4.542500      0.4487000       1.357100    
 C   -6.637600     -0.3758000     -0.2790000    
 C   -7.454100     -0.7572000      -1.504300    
 C   -8.839700     -0.1375000      -1.474800    
 H    3.738600     -0.3380000      -1.695300    
 H    2.897300       1.056200      0.8735000    
 H    5.564600      0.6124000      0.6223000    
 H    6.098500     -0.2398000     -0.8255000    
 H    2.811000       2.084900      -1.965700    
 H    2.268700       2.910500     -0.5254000    
 H    6.477300       2.174800     -0.9159000    
 H    5.423100       1.618900      -2.213100    
 H    4.522400       3.689900      -1.250600    
 H    4.557200       3.005100      0.3726000    
 H    3.223500     -0.5008000       1.966700    
 H    4.966000     -0.7651000       1.812600    
 H    5.771400      -2.176900     -0.1836000    
 H    4.531000      -3.364400      0.1344000    
 H    3.768800      -2.210000       3.420400    
 H    4.709300      -3.110600       2.245400    
 H    2.936100      -3.001000       2.082500    
 H    3.409700      -2.857800      -2.054200    
 H    4.870300      -1.936200      -2.498500    
 H    4.987700      -3.642400      -2.109200    
 H  -0.5628000     -0.4700000      -1.037500    
 H   -2.852300      -1.047600      -1.183600    
 H   -1.422700       1.544700       1.983400    
 H   -3.660900       1.714100       2.860600    
 H   -5.525200      0.5398000       1.810200    
 H   -7.131200     -0.7370000      0.6307000    
 H   -6.569200      0.7195000     -0.2476000    
 H   -7.535300      -1.848900      -1.566700    
 H   -6.925400     -0.4423000      -2.412000    
 H   -9.405400     -0.4312000      -2.364600    
 H   -9.398300     -0.4674000     -0.5931000    
 H   -8.781000      0.9555000      -1.455700    


%chk=000037930-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000037930

0 1
O 1.884861 1.486108 -0.676573
O 1.161563 1.352427 1.570518
O -4.802702 -0.428556 -0.960039
N 3.234329 -0.943994 0.211070
N -0.244883 0.877573 -0.279335
C 3.939301 0.135548 -0.530177
C 3.313545 1.529202 -0.263526
C 5.481545 0.197443 -0.296362
C 3.978247 2.634038 -1.101558
C 6.148508 1.297915 -1.153619
C 5.507438 2.675636 -0.866941
C 3.564824 -1.053999 1.657020
C 3.213853 -2.236974 -0.521567
C 2.433846 -1.698788 2.481704
C 2.121130 -2.286552 -1.609017
C 0.945826 1.227112 0.338863
C -1.497500 0.591021 0.325051
C -2.559940 0.228715 -0.536934
C -1.707975 0.650132 1.730953
C -3.832619 -0.078320 -0.006179
C -2.986461 0.342122 2.234802
C -4.060984 -0.023919 1.391925
C -6.150655 -0.775851 -0.475601
C -6.991907 -1.128117 -1.705170
C -8.436962 -1.510857 -1.317234
H 3.775841 -0.064617 -1.609158
H 3.347545 1.775118 0.815416
H 5.686596 0.402091 0.773374
H 5.921099 -0.793356 -0.523950
H 3.772639 2.435783 -2.172454
H 3.513432 3.606632 -0.856143
H 7.236508 1.331028 -0.950964
H 6.029681 1.054985 -2.229818
H 5.959333 3.455934 -1.508209
H 5.715920 2.965212 0.183589
H 3.720403 -0.031285 2.046177
H 4.518452 -1.613866 1.826885
H 4.207926 -2.468414 -0.978542
H 3.018622 -3.041054 0.210198
H 2.721436 -1.742926 3.549267
H 2.212578 -2.731257 2.154180
H 1.516074 -1.095253 2.389322
H 1.126769 -2.150935 -1.148685
H 2.258908 -1.486119 -2.359213
H 2.140470 -3.257126 -2.140607
H -0.184938 0.801569 -1.296789
H -2.422450 0.175834 -1.622886
H -0.885605 0.928360 2.391527
H -3.153015 0.386787 3.317094
H -5.039007 -0.257156 1.820930
H -6.086690 -1.637924 0.221455
H -6.586987 0.087984 0.068946
H -6.504847 -1.963182 -2.242309
H -6.996053 -0.262417 -2.393396
H -9.030029 -1.759232 -2.215007
H -8.455452 -2.391750 -0.648251
H -8.948488 -0.679612 -0.796353


