%chk=000058196.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000058196

0 1
 O    2.063200       1.865800       1.509400    
 O    1.050700      -1.397700      -1.681200    
 N   -3.190400      -2.114500      0.4621000    
 N    1.330700      0.3076000     -8.3700001E-02
 C   -1.037600     -0.3793000     -0.1365000    
 C   -2.464500      0.1584000     -8.4100001E-02
 C  -0.8823000      -1.448200      0.9637000    
 C   -2.748300       1.477600     -0.1030000    
 C   2.0400001E-02  0.7042000     -6.6299997E-02
 C   -3.534800     -0.8370000      6.4499997E-02
 C   -1.681600       2.540200     -0.1080000    
 C   -4.171900       1.979000     -8.1600003E-02
 C   -1.849800      -2.602500      0.7034000    
 C  -0.2816000       2.011700     -5.0400000E-02
 C   -5.202300      0.9324000     -0.5201000    
 C   -4.810100     -0.4683000     -0.1627000    
 C    2.309000       1.140600      0.5406000    
 C    1.667000     -0.9213000     -0.7244000    
 C    3.713000       1.112200     -5.6100000E-02
 C    2.827300      -1.702200     -0.1037000    
 C    4.444000       2.443200      0.1227000    
 C    2.707100      -3.216000     -0.2881000    
 C    5.851000       2.387300     -0.4503000    
 C    3.872200      -3.973300      0.3338000    
 H  -0.9907000     -0.8595000      -1.120500    
 H   0.1269000      -1.858800       1.036300    
 H   -1.100400      -1.002900       1.944800    
 H   -1.785600       3.150300      -1.013000    
 H   -1.833400       3.200100      0.7547000    
 H   -4.273700       2.855000     -0.7337000    
 H   -4.401600       2.315700      0.9375000    
 H   -1.855700      -3.285600       1.559300    
 H   -1.518100      -3.175100     -0.1703000    
 H   0.4811000       2.785100     -7.1300000E-02
 H   -6.167200       1.171800     -5.8100000E-02
 H   -5.351300      0.9836000      -1.605700    
 H   -3.951800      -2.780800      0.5511000    
 H   -5.611300      -1.197800     -7.5499997E-02
 H    4.291600      0.3497000      0.4729000    
 H    3.662300      0.8686000      -1.122300    
 H    3.748000      -1.395000     -0.6076000    
 H    2.898000      -1.476200      0.9654000    
 H    4.502500       2.703700       1.186200    
 H    3.879100       3.244400     -0.3684000    
 H    1.768800      -3.567900      0.1569000    
 H    2.655800      -3.458700      -1.356400    
 H    6.448100       1.617800      4.9199998E-02
 H    5.829300       2.164400      -1.521800    
 H    6.354300       3.349600     -0.3139000    
 H    3.749600      -5.050000      0.1812000    
 H    3.929300      -3.786000       1.410700    
 H    4.821500      -3.670500     -0.1192000    


%chk=000058196-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000058196

0 1
O 1.701471 1.288202 1.751785
O 1.145609 -1.207409 -2.149151
N -3.168329 -1.738797 1.401007
N 1.426697 0.144388 -0.274925
C -1.040203 -0.447400 -0.043082
C -2.435651 0.175030 0.004348
C -0.762017 -1.186897 1.297076
C -2.709538 1.440215 -0.434904
C 0.025873 0.575843 -0.394209
C -3.534181 -0.652400 0.583429
C -1.636620 2.374118 -0.954011
C -4.124167 1.997039 -0.334945
C -1.812483 -2.294844 1.480922
C -0.235607 1.834586 -0.814967
C -5.183199 0.887245 -0.520501
C -4.847860 -0.318780 0.339487
C 2.236944 0.779645 0.732175
C 1.839850 -0.922590 -1.134291
C 3.734697 0.955386 0.461667
C 3.033572 -1.795102 -0.729478
C 4.118729 2.457942 0.566425
C 2.668719 -3.300496 -0.831745
C 5.637415 2.673591 0.405822
C 3.882392 -4.205441 -0.537955
H -1.034066 -1.225349 -0.840293
H 0.244356 -1.645552 1.284860
H -0.796653 -0.469356 2.135985
H -1.832482 2.621980 -2.021765
H -1.713574 3.349918 -0.424068
H -4.271842 2.801483 -1.082166
H -4.252569 2.466248 0.666335
H -1.685936 -2.780883 2.467165
H -1.639574 -3.077612 0.702764
H 0.595862 2.504289 -1.070802
H -6.184662 1.279702 -0.260536
H -5.228142 0.600408 -1.596510
H -3.931684 -2.319411 1.748735
H -5.663202 -0.945080 0.724087
H 4.306657 0.399114 1.230040
H 4.024478 0.568334 -0.528890
H 3.873138 -1.594067 -1.424528
H 3.382789 -1.567203 0.291410
H 3.774523 2.839022 1.544350
H 3.573798 3.030290 -0.210192
H 1.849280 -3.527010 -0.120911
H 2.272978 -3.497561 -1.843634
H 6.200854 2.136215 1.191864
H 5.998324 2.312522 -0.575643
H 5.892432 3.745974 0.483155
H 3.605321 -5.272470 -0.612879
H 4.282178 -4.032824 0.479203
H 4.701106 -4.019297 -1.258615


