%chk=000005457.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000005457

0 1
 O    4.594900      0.9138000      0.9911000    
 N   -1.330500     -8.8600002E-02  -1.011200    
 N   -1.450200      -3.498000      0.4564000    
 N   -1.580300       2.170100     -0.4266000    
 N   -3.025100      0.4829000      0.5079000    
 C   -1.696500      -1.481700     -0.9163000    
 C   -1.067100      -2.092300      0.3292000    
 C  -0.2175000      0.2850000      -1.885600    
 C    1.066900      0.4530000      -1.118000    
 C   -2.007300      0.8967000     -0.2786000    
 C  -0.8783000      -4.075500       1.672200    
 C   -1.020200      -4.253500     -0.7196000    
 C    1.905400     -0.6385000     -0.9429000    
 C    1.393300       1.697000     -0.5969000    
 C    3.095100     -0.4831000     -0.2315000    
 C    2.583100       1.852700      0.1145000    
 C    3.434100      0.7625000      0.2970000    
 C   -2.254000       3.092300      0.2920000    
 C   -3.654400       1.456700       1.197700    
 C   -3.309000       2.791000       1.128800    
 C    5.417700     -0.2425000       1.140500    
 H   -2.787700      -1.603100     -0.9063000    
 H   -1.355800      -1.986600      -1.825600    
 H   2.1299999E-02  -1.994900      0.3154000    
 H   -1.412700      -1.549300       1.217500    
 H  -0.4474000       1.197400      -2.452800    
 H  -6.8599999E-02 -0.4739000      -2.665700    
 H   0.2177000      -4.063700       1.660700    
 H   -1.220100      -3.527500       2.557500    
 H   -1.210800      -5.111700       1.800500    
 H   -1.637500      -4.033600      -1.595900    
 H   3.4899998E-02  -4.085800     -0.9653000    
 H   -1.151900      -5.329400     -0.5501000    
 H    1.658100      -1.610200      -1.361300    
 H   0.7795000       2.573900     -0.7657000    
 H    3.710300      -1.370400     -0.1294000    
 H    2.847400       2.827800      0.5144000    
 H   -1.909900       4.114100      0.1729000    
 H   -4.471100       1.123500       1.829100    
 H   -3.831300       3.551200       1.693900    
 H    4.911100      -1.025400       1.715100    
 H    6.297400      5.9400000E-02   1.718200    
 H    5.780000     -0.6062000      0.1730000    


%chk=000005457-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000005457

0 1
O 4.840974 -0.030703 0.922302
N -1.377681 0.195375 -0.957877
N -1.107018 -3.277680 0.609191
N -2.103507 2.411977 -0.541125
N -3.368327 0.470188 0.278426
C -1.525442 -1.270142 -0.813635
C -1.102977 -1.796851 0.582379
C -0.226561 0.719094 -1.734803
C 1.121873 0.493540 -1.059667
C -2.301820 1.048175 -0.394195
C -1.448276 -3.840477 1.930282
C 0.127739 -3.870637 0.059350
C 2.088033 -0.370342 -1.620040
C 1.439198 1.161655 0.155404
C 3.343328 -0.581128 -0.999918
C 2.678572 0.967145 0.786759
C 3.636282 0.091703 0.210535
C -3.048355 3.222551 -0.000593
C -4.285030 1.326431 0.798876
C -4.183772 2.733526 0.688302
C 5.867081 -0.913970 0.365303
H -2.577489 -1.554228 -0.981808
H -0.906128 -1.738812 -1.599518
H -0.107384 -1.371957 0.856148
H -1.841008 -1.423348 1.313409
H -0.411847 1.796985 -1.874824
H -0.232006 0.229236 -2.728351
H -0.684829 -3.623601 2.720627
H -2.417120 -3.433531 2.268693
H -1.548812 -4.938880 1.850944
H 0.324786 -3.478148 -0.953557
H 1.031631 -3.658042 0.686146
H 0.012249 -4.967054 -0.019390
H 1.865385 -0.890158 -2.560916
H 0.703509 1.842080 0.599871
H 4.068441 -1.256966 -1.463266
H 2.934203 1.480288 1.718966
H -2.878722 4.298847 -0.124406
H -5.125532 0.858140 1.325157
H -4.932178 3.402648 1.117701
H 5.507533 -1.959648 0.299095
H 6.709478 -0.856301 1.070146
H 6.194524 -0.571379 -0.635925


