%chk=000054973.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000054973

0 1
 O    2.362400      5.9999999E-02  -3.090600    
 O   0.5937000       1.313300      -1.349200    
 O   -2.754800      -1.933900     -0.5963000    
 O   -3.663200     -0.4200000      0.8575000    
 N    2.985700     -0.4818000      0.5156000    
 N   -1.699200      3.7999999E-02 -0.3392000    
 C    2.811700      -1.664500       1.365100    
 C    2.613500     -0.7797000     -0.8571000    
 C    2.786100      0.4321000      -1.775900    
 C    3.205400      -1.297600       2.799900    
 C    1.339900      -2.088500       1.315900    
 C    3.704400      -2.798600      0.8475000    
 C    1.977700       1.648700      -1.330600    
 C  -0.2052000       1.946700     -0.4352000    
 C   -1.345500       1.324800      7.3399998E-02
 C   0.1349000       3.232200     -1.3400000E-02
 C   -2.145600       1.988400       1.003700    
 C  -0.6650000       3.895600      0.9169000    
 C   -1.805200       3.273700       1.425400    
 C   -2.789700     -0.7306000      5.6699999E-02
 C   -3.817900      -2.844800     -0.2935000    
 C   -3.624200      -4.113300      -1.096500    
 H    3.955300     -0.1674000      0.5480000    
 H    3.226000      -1.575000      -1.295200    
 H    1.572200      -1.103000     -0.9523000    
 H    3.845900      0.7043000      -1.839900    
 H    3.080300      -2.151200       3.475800    
 H    2.587500     -0.4781000       3.185300    
 H    4.253600     -0.9815000       2.858700    
 H   0.6665000      -1.238800       1.480700    
 H    1.054200      -2.584600      0.3824000    
 H    1.130500      -2.814300       2.111900    
 H    3.339300      -3.256600     -7.7500001E-02
 H    4.735500      -2.462400      0.6858000    
 H    3.748300      -3.610100       1.584800    
 H    2.328000       1.961100     -0.3394000    
 H    2.133800       2.466600      -2.044100    
 H    1.408700     -0.1270000      -3.053500    
 H   0.9927000       3.769200     -0.4071000    
 H   -3.042600       1.576500       1.443500    
 H  -0.4051000       4.899500       1.239700    
 H   -1.075900     -0.3937000      -1.017500    
 H   -2.428300       3.792300       2.148400    
 H   -4.777600      -2.384800     -0.5539000    
 H   -3.803900      -3.078600      0.7769000    
 H   -4.420600      -4.833300     -0.8889000    
 H   -2.659600      -4.574900     -0.8607000    
 H   -3.617300      -3.893000      -2.169100    


%chk=000054973-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000054973

0 1
O 1.889700 0.035266 -3.049589
O 0.469772 1.006298 -0.796659
O -2.901226 -1.931443 -0.825817
O -4.207280 -0.309825 0.281442
N 3.523247 -0.812521 0.248372
N -1.945614 0.053811 -0.335220
C 3.325658 -1.667740 1.466937
C 2.643046 -1.023488 -0.921577
C 2.553694 0.277081 -1.759020
C 4.476808 -1.308769 2.438018
C 1.970868 -1.312804 2.129816
C 3.374996 -3.189682 1.137372
C 1.876163 1.421006 -0.998396
C -0.391906 1.888439 -0.109862
C -1.702142 1.369977 0.128002
C -0.037975 3.179211 0.327277
C -2.653207 2.173801 0.798093
C -0.997266 3.974464 0.999436
C -2.295598 3.472520 1.228433
C -3.118961 -0.670097 -0.234543
C -4.074493 -2.849340 -0.803271
C -3.651445 -4.119188 -1.535004
H 4.515418 -0.817174 -0.030027
H 2.973898 -1.836477 -1.604864
H 1.631085 -1.286309 -0.566390
H 3.574493 0.605166 -2.030406
H 4.388156 -1.881774 3.377959
H 4.454016 -0.231004 2.678098
H 5.462807 -1.545024 1.991265
H 1.926622 -0.231907 2.350820
H 1.111463 -1.565383 1.482364
H 1.849626 -1.873475 3.074446
H 2.582628 -3.466461 0.417705
H 4.351926 -3.464010 0.695236
H 3.228888 -3.798025 2.049396
H 2.368519 1.564326 -0.018453
H 1.896925 2.351397 -1.597541
H 0.912267 0.002683 -2.881344
H 0.967822 3.570442 0.151635
H -3.653354 1.772359 0.974430
H -0.722908 4.978947 1.338032
H -1.155431 -0.412859 -0.787223
H -3.038789 4.087454 1.746541
H -4.926244 -2.343767 -1.293320
H -4.348983 -3.041785 0.250034
H -4.489670 -4.839468 -1.546354
H -2.791027 -4.595997 -1.034811
H -3.369694 -3.897451 -2.578567


