%chk=000028306.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000028306

0 1
 O   0.5572000      -1.752100      -1.219100    
 N  -0.3149000       1.668400     -0.8887000    
 N  -0.2166000       1.392900       1.554700    
 C    1.419500      0.1396000      0.1106000    
 C   -1.054200     -0.5088000      0.1320000    
 C   0.4070000      -1.053700      2.0099999E-02
 C  -0.4691000       2.348800      0.4327000    
 C    1.055900       1.125800      -1.041700    
 C    1.161200      0.8489000       1.478800    
 C   -1.259300      0.5344000      -1.008600    
 C   -1.161900      0.2537000       1.490100    
 C   -1.884200       2.988700      0.5602000    
 C    2.837300     -0.3097000     -1.5600000E-02
 C   -2.065600      -1.602300      3.5900000E-02
 C   0.4769000       3.583000      0.5330000    
 C   -2.125000       3.954000     -0.5809000    
 C    3.365200      -1.216400      0.9030000    
 C   -2.062800      -2.638000      0.9694000    
 C    3.632500      0.1781000      -1.051900    
 C   -3.012400      -1.586700     -0.9878000    
 C   -3.498500       4.591800     -0.4464000    
 C    4.690200      -1.636400      0.7847000    
 C   -3.008500      -3.659700      0.8794000    
 C    4.957600     -0.2417000      -1.170100    
 C   -3.957800      -2.608500      -1.077800    
 C    5.486500      -1.149200     -0.2520000    
 C   -3.956200      -3.644900     -0.1441000    
 H   0.6125000      -1.777800      0.8180000    
 H    1.736700       1.984200      -1.073200    
 H    1.129100      0.6508000      -2.030000    
 H    1.301700      0.1470000       2.312600    
 H    1.907900       1.626900       1.668700    
 H   -1.117100      8.3800003E-02  -2.001000    
 H   -2.276600      0.9400000      -1.017600    
 H   -2.189600      0.5861000       1.675000    
 H  -0.9488000     -0.4189000       2.332300    
 H   -1.968400       3.518100       1.519800    
 H   -2.693600       2.252900      0.5673000    
 H    1.528800       3.324000      0.6784000    
 H   0.4840000       4.181700     -0.3841000    
 H   0.2082000       4.233900       1.373800    
 H   3.6300000E-02  -2.570800      -1.165900    
 H   -2.073700       3.455900      -1.554700    
 H   -1.415300       4.784200     -0.5956000    
 H    2.767400      -1.610800       1.719600    
 H   -1.336200      -2.674000       1.776000    
 H    3.301500      0.8736000      -1.812700    
 H   -3.078100     -0.8283000      -1.757800    
 H   -4.289300       3.835100     -0.4757000    
 H   -3.586900       5.146200      0.4937000    
 H   -3.673300       5.292600      -1.269100    
 H    5.102200      -2.342700       1.499500    
 H   -3.006900      -4.466900       1.606000    
 H    5.578000      0.1350000      -1.978100    
 H   -4.694600      -2.599600      -1.875900    
 H    6.517900      -1.476600     -0.3445000    
 H   -4.692000      -4.440600     -0.2145000    


%chk=000028306-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000028306

0 1
O 0.583502 -1.629933 -1.392313
N -0.291195 1.781212 -0.929272
N -0.171920 1.463531 1.526458
C 1.433238 0.177495 0.010138
C -1.065097 -0.416243 0.062756
C 0.393057 -0.975850 -0.088505
C -0.434326 2.475318 0.410555
C 1.087511 1.222970 -1.104065
C 1.199190 0.883510 1.403282
C -1.266358 0.655571 -1.057919
C -1.136026 0.325379 1.453040
C -1.863197 3.072369 0.578579
C 2.865907 -0.362041 -0.063889
C -2.076585 -1.566251 0.001286
C 0.563813 3.651982 0.518673
C -2.261129 4.115930 -0.491248
C 3.332766 -1.272964 0.923112
C -2.055947 -2.582501 0.999076
C 3.772588 0.030250 -1.081754
C -3.039543 -1.680788 -1.037780
C -3.748815 4.512352 -0.380966
C 4.652161 -1.770642 0.896971
C -2.964402 -3.661097 0.966119
C 5.096223 -0.463795 -1.111640
C -3.952040 -2.760083 -1.073129
C 5.544969 -1.365410 -0.121944
C -3.920412 -3.755418 -0.071970
H 0.580627 -1.712082 0.725041
H 1.816268 2.050603 -1.101058
H 1.129842 0.736831 -2.094415
H 1.326708 0.154724 2.226045
H 1.963449 1.661995 1.554030
H -1.100977 0.190412 -2.046989
H -2.294474 1.054832 -1.040166
H -2.164315 0.674179 1.639569
H -0.884998 -0.376424 2.271422
H -1.902886 3.525740 1.587856
H -2.634511 2.282251 0.571512
H 1.618063 3.346552 0.587293
H 0.465708 4.297253 -0.369062
H 0.330769 4.243895 1.419958
H -0.052524 -2.387897 -1.455411
H -2.047927 3.699677 -1.494511
H -1.638799 5.025182 -0.390859
H 2.659295 -1.608708 1.721250
H -1.323754 -2.532943 1.813771
H 3.448610 0.714063 -1.871511
H -3.084145 -0.926509 -1.828825
H -4.408663 3.636863 -0.533700
H -3.979163 4.932613 0.616601
H -4.019572 5.272216 -1.136676
H 4.984697 -2.473590 1.669511
H -2.927848 -4.428236 1.747877
H 5.775146 -0.147886 -1.912042
H -4.684801 -2.823936 -1.885616
H 6.570951 -1.749355 -0.144389
H -4.626906 -4.592169 -0.099962


