%chk=000049974.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000049974

0 1
 O    1.322400      -2.988500       1.277100    
 N   -1.460100      -1.090500      0.4070000    
 N   -2.042000      0.5739000      -1.781400    
 N    4.007800       1.053300      0.3569000    
 C    1.748500      -1.412200      -1.447600    
 C   0.6386000      -1.510100     -0.4707000    
 C  -0.5339000     -0.8962000     -0.5793000    
 C   -2.689900     -0.4488000      0.3290000    
 C  -0.9124000      -1.990400       1.410600    
 C   -3.690300     -0.6617000       1.439700    
 C   -2.947200      0.3572000     -0.7396000    
 C    3.015000     -0.8600000     -0.7940000    
 C  -0.8889000     -2.4700001E-02  -1.706800    
 C   0.4706000      -2.257900      0.7962000    
 C   -3.997100      0.6139000       2.226000    
 C   -4.249600       1.106400     -0.8909000    
 C   -4.979800       1.551200       1.525400    
 C   -4.483400       2.144100      0.2077000    
 C    1.346800     -0.5289000      -2.622400    
 C    2.781700      0.5418000     -0.2437000    
 C   0.1671000      0.1060000      -2.750700    
 C    4.444400      0.1877000       1.454000    
 C    3.814400       2.422700      0.8372000    
 C    5.756900      0.6722000       2.046400    
 C    3.360500       3.339400     -0.2861000    
 H    1.959300      -2.414300      -1.841200    
 H   -1.478100      -2.923800       1.473600    
 H  -0.8005000      -1.499900       2.381100    
 H   -4.612100      -1.095100       1.031300    
 H   -3.315900      -1.407100       2.150200    
 H    3.834800     -0.8457000      -1.525100    
 H    3.295200      -1.579000     -1.9099999E-02
 H   -4.444000      0.3234000       3.185300    
 H   -3.070900       1.151000       2.465500    
 H   -4.246500       1.633500      -1.854400    
 H   -5.086700      0.3995000     -0.9458000    
 H   -5.207900       2.379300       2.208200    
 H   -5.927300       1.025000       1.354600    
 H   -3.573700       2.732500      0.3808000    
 H   -5.246100       2.849100     -0.1468000    
 H    2.079800     -0.4127000      -3.417800    
 H    1.967200      0.5568000      0.4905000    
 H    2.485800       1.176100      -1.082300    
 H  -4.8799999E-02  0.7216000      -3.616400    
 H    3.685500      0.1054000       2.242100    
 H    4.671700     -0.8220000       1.104300    
 H    3.094700       2.470000       1.664300    
 H    4.760000       2.841600       1.196300    
 H    6.500200      0.8837000       1.270000    
 H    5.631000       1.561900       2.670900    
 H    6.176400     -0.1052000       2.695500    
 H    3.966500       3.210500      -1.189500    
 H    2.304300       3.202900     -0.5388000    
 H    3.468500       4.383600      2.9500000E-02


%chk=000049974-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000049974

0 1
O 1.460825 -2.739885 1.346322
N -1.595955 -1.036048 0.363519
N -2.353910 0.605783 -1.792445
N 4.158311 1.124613 0.518513
C 1.666782 -1.117934 -1.507612
C 0.570230 -1.328952 -0.483722
C -0.684127 -0.748953 -0.656743
C -2.892050 -0.528870 0.334408
C -0.905866 -1.909979 1.347897
C -3.831892 -0.865321 1.469641
C -3.244269 0.290630 -0.756723
C 3.009335 -0.615029 -0.876275
C -1.106766 0.097033 -1.740982
C 0.550825 -2.071088 0.758284
C -4.289164 0.372571 2.298153
C -4.625429 0.911463 -0.862877
C -5.384795 1.227483 1.617229
C -4.984054 1.899672 0.281858
C 1.180058 -0.196626 -2.627924
C 2.887139 0.740637 -0.151291
C -0.073882 0.352264 -2.744364
C 4.340922 0.425005 1.822379
C 4.330747 2.597101 0.634715
C 5.822332 0.276365 2.218934
C 4.706736 3.267880 -0.700626
H 1.923737 -2.095959 -1.976566
H -1.395250 -2.896636 1.422712
H -0.870067 -1.444058 2.347574
H -4.734138 -1.363709 1.060685
H -3.349046 -1.594608 2.144390
H 3.780314 -0.527816 -1.665827
H 3.350257 -1.392981 -0.169003
H -4.685666 0.005109 3.265036
H -3.408453 1.001943 2.533782
H -4.646786 1.443863 -1.829352
H -5.407678 0.123902 -0.910945
H -5.708498 2.012844 2.328954
H -6.273527 0.585469 1.439016
H -4.131559 2.588439 0.444951
H -5.834822 2.524434 -0.054636
H 1.925902 0.026925 -3.404144
H 2.037446 0.700261 0.575282
H 2.628800 1.520676 -0.891056
H -0.337728 0.998611 -3.588111
H 3.779551 0.946262 2.640114
H 3.894318 -0.582257 1.737179
H 3.414258 3.084904 1.058150
H 5.144468 2.783068 1.359582
H 6.365803 -0.289478 1.442446
H 6.320087 1.256579 2.335238
H 5.912888 -0.262987 3.180511
H 5.637589 2.825690 -1.096683
H 3.917624 3.139873 -1.463908
H 4.860592 4.354322 -0.558838


