%chk=000048592.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000048592

0 1
 O   2.8700000E-02  0.5666000       1.802600    
 O   0.9632000       2.851700      -2.191800    
 O    4.644300     -5.0200000E-02 -0.4295000    
 O   -3.758600      -1.683300     -0.2803000    
 O  -0.6813000       5.087200       1.462700    
 N  -0.4178000       2.807400       1.598800    
 N   4.8400000E-02   3.948900     -0.3967000    
 C  -1.7899999E-02   1.496600     -0.4364000    
 C   0.9469000      0.3764000     -0.8515000    
 C   -1.430100       1.169300     -0.9538000    
 C    2.375700      0.7153000     -0.4572000    
 C   -1.925100     -0.1462000     -0.3776000    
 C  -0.1029000       1.558100       1.085500    
 C   0.4069000       2.805400      -1.094900    
 C    3.329800     -0.4099000     -0.8319000    
 C   -3.336500     -0.4550000     -0.8566000    
 C  -0.3876000       4.020200      0.9209000    
 C    5.493900      -1.075600     -0.1043000    
 C   -5.103700      -1.835800     -6.5200001E-02
 C    5.353900      -2.319600     -0.7198000    
 C   -6.020600      -1.196700     -0.8999000    
 C    6.498400     -0.8752000      0.8426000    
 C   -5.555800      -2.629800      0.9889000    
 C    6.218100      -3.363100     -0.3883000    
 C   -7.389400      -1.351300     -0.6805000    
 C    7.362700      -1.918800       1.174000    
 C   -6.924700      -2.784500       1.208200    
 C    7.222400      -3.162700      0.5586000    
 C   -7.841400      -2.145200      0.3735000    
 H   0.6976000     -0.5777000     -0.3748000    
 H   0.9001000      0.2103000      -1.935900    
 H   -2.130400       1.971500     -0.6847000    
 H   -1.431200       1.119100      -2.050800    
 H    2.459300      0.8955000      0.6213000    
 H    2.733100       1.633500     -0.9351000    
 H   -1.294600     -0.9918000     -0.6686000    
 H   -1.959400     -0.1413000      0.7154000    
 H    3.318100     -0.5684000      -1.916500    
 H    2.989200      -1.322800     -0.3260000    
 H   -3.352200     -0.5476000      -1.948800    
 H   -3.984900      0.3773000     -0.5522000    
 H  -0.6156000       2.852500       2.594500    
 H   0.1944000       4.835300     -0.8716000    
 H    4.603600      -2.509500      -1.481600    
 H   -5.711300     -0.5927000      -1.747900    
 H    6.612200      9.1600001E-02   1.325400    
 H   -4.846200      -3.129800       1.642500    
 H    6.113400      -4.330000     -0.8718000    
 H   -8.103700     -0.8590000      -1.334000    
 H    8.144900      -1.762800       1.911100    
 H   -7.276800      -3.402800       2.028700    
 H    7.896200      -3.974700      0.8156000    
 H   -8.907200      -2.266900      0.5433000    


%chk=000048592-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000048592

0 1
O -0.167154 1.137050 2.178352
O 0.750032 2.451801 -2.393840
O 4.617051 -0.257191 0.099657
O -4.118526 -1.388885 0.191287
O 0.060513 5.608330 0.947117
N -0.138122 3.345843 1.505756
N 0.367758 3.988758 -0.711405
C -0.034275 1.547495 -0.246339
C 0.899024 0.314333 -0.411232
C -1.513243 1.204919 -0.712538
C 2.379473 0.610219 -0.083292
C -2.149542 -0.028322 -0.036063
C -0.095572 1.963653 1.232934
C 0.416350 2.671062 -1.201506
C 3.237238 -0.649651 -0.227522
C -3.621435 -0.159844 -0.443704
C 0.087700 4.401817 0.604467
C 5.613189 -1.248113 0.043375
C -5.465540 -1.738157 -0.017398
C 5.378789 -2.600759 -0.309381
C -6.372514 -0.993417 -0.811968
C 6.920783 -0.810448 0.371833
C -5.889421 -2.923418 0.633809
C 6.464738 -3.507701 -0.329300
C -7.705721 -1.448183 -0.947763
C 7.990483 -1.726195 0.347205
C -7.219917 -3.361825 0.488329
C 7.770577 -3.081787 -0.003455
C -8.137876 -2.627565 -0.303618
H 0.526288 -0.480707 0.258282
H 0.807431 -0.038424 -1.455592
H -2.152652 2.095848 -0.540724
H -1.462179 1.050383 -1.807893
H 2.480164 0.980644 0.954474
H 2.782386 1.385001 -0.761551
H -1.625174 -0.952515 -0.336984
H -2.083704 0.039849 1.063781
H 3.193371 -1.042902 -1.265188
H 2.896154 -1.443701 0.469729
H -3.727593 -0.236439 -1.547041
H -4.212788 0.712087 -0.091404
H -0.271924 3.620999 2.484846
H 0.589698 4.740230 -1.373245
H 4.375825 -2.954886 -0.565300
H -6.061257 -0.076243 -1.320864
H 7.070938 0.239836 0.640404
H -5.166459 -3.475810 1.241985
H 6.281451 -4.553278 -0.602105
H -8.406100 -0.871717 -1.562847
H 8.998980 -1.381977 0.602489
H -7.542292 -4.278697 0.994306
H 8.604576 -3.791024 -0.021348
H -9.171475 -2.971376 -0.414405


