%chk=000041246.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000041246

0 1
 O  -8.5900001E-02  -3.422200      -1.182200    
 O    2.154100       3.341400     -0.6837000    
 N   -3.110100     -0.1339000     -0.2614000    
 N   0.4377000      -1.194000     -0.7350000    
 C   -1.785800     -0.6149000      0.1170000    
 C   -3.018200       1.183600     -0.8927000    
 C   -3.990400     -7.7600002E-02  0.9066000    
 C  -0.8952000     -0.7288000      -1.116600    
 C    1.359300     -0.2200000     -0.2150000    
 C    2.302800      -1.907200       1.445500    
 C    2.782200      -3.012500      0.5168000    
 C    2.299600     -0.5512000      0.7869000    
 C    2.219200      -2.919500     -0.8907000    
 C   0.7479000      -2.550100     -0.9232000    
 C   -2.395000       2.189500      7.1000002E-02
 C   -4.407700       1.634100      -1.332200    
 C   -3.414700      0.8668000       1.958000    
 C   -4.173200      -1.482100       1.472900    
 C    1.311100       1.107700     -0.6771000    
 C    3.197600      0.4257000       1.249400    
 C    2.206800       2.068400     -0.2038000    
 C    3.155700       1.725700      0.7516000    
 C    3.102100       4.271200     -0.1623000    
 H   -1.857500      -1.636100      0.5106000    
 H   -1.250800     -5.8600001E-02  0.8863000    
 H   -2.444700       1.143200      -1.821700    
 H   -5.002500      0.2418000      0.6385000    
 H  -0.7987000      0.1656000      -1.723100    
 H   -1.341200      -1.467600      -1.796500    
 H    2.930300      -1.901800       2.345600    
 H    1.288300      -2.123700       1.805800    
 H    3.877500      -2.994400      0.4532000    
 H    2.514700      -3.979600      0.9600000    
 H    2.347400      -3.882600      -1.399400    
 H    2.781900      -2.192800      -1.489600    
 H   -1.903600       2.920300     -0.5958000    
 H   -3.095000       2.856300      0.5786000    
 H   -1.541000       1.895600      0.6797000    
 H   -4.933400      0.8450000      -1.881900    
 H   -4.314300       2.487300      -2.015500    
 H   -5.044500       1.976700     -0.5104000    
 H   -3.849900       1.866800       1.933100    
 H   -2.350100      0.8523000       2.185300    
 H   -3.823700      0.5213000       2.923200    
 H   -3.302900      -1.841400       2.031900    
 H   -5.014900      -1.491200       2.176300    
 H   -4.411500      -2.206700      0.6859000    
 H   0.6254000       1.432700      -1.452000    
 H    3.926200      0.1811000       2.019100    
 H    3.880700       2.419500       1.162700    
 H    2.960700       4.430500      0.9121000    
 H    2.917000       5.231700     -0.6544000    
 H    4.129000       3.979500     -0.4073000    


%chk=000041246-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000041246

0 1
O -0.339547 -3.075575 -0.259015
O 3.071228 2.814104 -2.172303
N -3.024766 0.284622 0.161363
N 0.546860 -0.926667 -0.423150
C -1.692698 -0.230952 0.504040
C -3.179155 1.760961 0.214023
C -4.192384 -0.596722 0.425743
C -0.811747 -0.417208 -0.763881
C 1.647517 -0.007865 -0.268083
C 2.197476 -1.093717 1.980848
C 2.538442 -2.546590 1.542978
C 2.477394 -0.067941 0.897165
C 2.080826 -2.830413 0.083287
C 0.673369 -2.308109 -0.200899
C -3.513601 2.332874 1.624712
C -4.185662 2.282487 -0.838892
C -4.352055 -1.050481 1.908675
C -4.160591 -1.833502 -0.507997
C 1.881800 0.967010 -1.261845
C 3.536966 0.858157 1.001409
C 2.940735 1.893413 -1.119102
C 3.784563 1.842242 0.016772
C 4.169432 3.779239 -2.089167
H -1.774709 -1.215488 0.996813
H -1.161022 0.443552 1.212354
H -2.184170 2.163619 -0.069710
H -5.089621 -0.003447 0.163609
H -0.713896 0.544102 -1.294219
H -1.304425 -1.145425 -1.428172
H 2.759499 -0.840637 2.898035
H 1.120373 -1.055008 2.240925
H 3.629975 -2.718613 1.605978
H 2.051469 -3.258678 2.235350
H 2.066878 -3.916422 -0.105496
H 2.797655 -2.364437 -0.618117
H -3.448591 3.437644 1.622157
H -4.538878 2.057307 1.933613
H -2.807800 1.949662 2.385004
H -3.928567 1.893599 -1.839608
H -4.170122 3.387847 -0.869834
H -5.221759 1.975121 -0.604101
H -4.374823 -0.188093 2.596788
H -3.524317 -1.717010 2.215383
H -5.293349 -1.618528 2.033496
H -3.252696 -2.440976 -0.333800
H -5.040312 -2.480480 -0.330497
H -4.162193 -1.515512 -1.565459
H 1.271207 1.011185 -2.168326
H 4.178751 0.824028 1.890066
H 4.611251 2.545881 0.148533
H 4.067529 4.430420 -1.199056
H 4.088243 4.385963 -3.002905
H 5.152817 3.270259 -2.065386


