%chk=000028822.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000028822

0 1
 O  -0.5908000      -1.078900      0.8197000    
 N   -3.060200      -2.026800     -0.2809000    
 N    3.176400      -1.106400      -1.285800    
 C   0.3735000     -5.5399999E-02   1.077400    
 C  -8.3899997E-02   1.284800      0.5355000    
 C    1.716500     -0.4942000      0.5475000    
 C  -0.2411000       1.524300     -0.8446000    
 C   -1.836400     -0.7748000       1.425300    
 C    1.980800     -0.6638000     -0.8161000    
 C   -2.825200      -1.888300       1.131200    
 C  -0.3820000       2.314300       1.446800    
 C   2.4200000E-02  0.5110000      -1.878600    
 C    2.758100     -0.7733000       1.443400    
 C   0.9807000     -0.4295000      -1.865100    
 C  -0.7163000       2.775900      -1.273100    
 C  -0.8367000       3.555700       1.004100    
 C   -1.006600       3.785500     -0.3557000    
 C    3.992900      -1.208900      0.9793000    
 C    4.148800      -1.361200     -0.3836000    
 C   -3.564300     -0.7743000     -0.8651000    
 C   -4.008600      -3.115800     -0.5615000    
 H   0.4654000      2.3499999E-02   2.169900    
 H   -1.692300     -0.7343000       2.512900    
 H   -2.242400      0.1952000       1.127600    
 H   -2.405900      -2.826200       1.517400    
 H   -3.756200      -1.697500       1.680300    
 H  -0.2675000       2.152700       2.516100    
 H  -0.6130000      0.5674000      -2.759500    
 H    2.611500     -0.6581000       2.514600    
 H    1.068500      -1.076900      -2.735600    
 H  -0.8589000       2.980900      -2.332500    
 H   -1.063400       4.338700       1.721500    
 H   -1.366500       4.749100     -0.7044000    
 H    4.802900      -1.427600       1.665400    
 H    5.088900      -1.704500     -0.8022000    
 H   -2.801700      6.2000002E-03 -0.8927000    
 H   -4.446500     -0.3967000     -0.3354000    
 H   -3.845700     -0.9320000      -1.913500    
 H   -4.125900      -3.255200      -1.641900    
 H   -4.995500      -2.924200     -0.1251000    
 H   -3.631100      -4.063700     -0.1622000    


%chk=000028822-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000028822

0 1
O -0.597511 -0.951326 0.775627
N -3.120330 -2.184720 -0.272122
N 3.063737 -1.319954 -1.315610
C 0.410913 0.097389 1.082054
C 0.001217 1.471147 0.563366
C 1.722336 -0.433080 0.543201
C -0.208343 1.731607 -0.830985
C -1.908735 -0.683943 1.382234
C 1.937863 -0.661216 -0.854090
C -2.826580 -1.886225 1.142896
C -0.281938 2.488100 1.507704
C 0.123506 0.798233 -1.913190
C 2.740733 -0.820021 1.444495
C 1.037812 -0.225272 -1.924208
C -0.751084 2.997947 -1.206190
C -0.782640 3.747440 1.114974
C -1.031000 3.996920 -0.255802
C 3.912173 -1.443668 0.969292
C 4.013536 -1.692708 -0.420655
C -3.604511 -1.038321 -1.057853
C -3.974269 -3.377619 -0.403294
H 0.498859 0.178104 2.190606
H -1.795254 -0.544082 2.482263
H -2.345889 0.248228 0.970595
H -2.356373 -2.783770 1.588123
H -3.767776 -1.680344 1.728425
H -0.121658 2.278439 2.572970
H -0.362254 1.021030 -2.873888
H 2.599924 -0.653988 2.519090
H 1.228211 -0.736233 -2.875340
H -0.925738 3.198179 -2.270343
H -0.995542 4.515748 1.866092
H -1.435788 4.962762 -0.577209
H 4.710154 -1.755537 1.649873
H 4.884355 -2.213658 -0.836233
H -2.821452 -0.263543 -1.121977
H -4.537077 -0.568942 -0.646411
H -3.821809 -1.375206 -2.087203
H -4.084783 -3.642714 -1.470003
H -5.002361 -3.245579 0.027575
H -3.500135 -4.232904 0.111949


