%chk=000037163.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000037163

0 1
 O    1.359800      -2.035200     -0.3428000    
 N   -1.604600     -0.3698000     -7.1999997E-02
 N  -0.1500000     -0.6535000       1.745200    
 C   -3.347600       2.023900     -0.4091000    
 C   -4.136600       1.349300      0.7139000    
 C   -3.023500       1.078400      -1.566000    
 C   -3.374400      0.2768000       1.490700    
 C   -1.738700      0.2735000      -1.377900    
 C   -2.805500     -0.8362000      0.6149000    
 C  -0.3766000     -0.5714000      0.4692000    
 C   0.8119000     -0.7331000     -0.4708000    
 C    1.867200      0.3168000     -0.2044000    
 C    1.808400       1.522600     -0.8823000    
 C    2.870200      5.0700001E-02  0.7124000    
 C   0.3849000      -3.041000     -0.5892000    
 C    2.781700       2.491100     -0.6366000    
 C    3.843400       1.019300      0.9582000    
 C    1.030900      -4.401700     -0.4373000    
 C    3.799100       2.239500      0.2838000    
 H   -3.870100      0.4073000      -1.754300    
 H   -2.908600       1.673600      -2.481200    
 H   -2.588700      0.7660000       2.076900    
 H   -4.068600     -0.1701000       2.213000    
 H   -3.968800       2.838800     -0.8017000    
 H   -2.435500       2.487800     -1.5600000E-02
 H   -4.461800       2.120600       1.423100    
 H   -5.053100      0.9108000      0.2993000    
 H   -1.675100     -0.4841000      -2.167700    
 H  -0.9261000      0.9847000      -1.533000    
 H   -2.565300      -1.704700       1.241400    
 H   -3.553300      -1.197300     -0.1009000    
 H   0.5236000     -0.6452000      -1.522500    
 H   -1.009400     -0.5399000       2.283900    
 H    1.041200       1.734500      -1.617500    
 H    2.919200     -0.8884000       1.255400    
 H  -0.4401000      -2.989100      0.1273000    
 H  -1.3600000E-02  -2.933700      -1.604500    
 H    2.750200       3.439400      -1.165100    
 H    4.634800      0.8244000       1.676100    
 H   0.3089000      -5.201500     -0.6249000    
 H    1.867700      -4.510900      -1.135200    
 H    1.439900      -4.524000      0.5712000    
 H    4.557300       2.993300      0.4747000    


%chk=000037163-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000037163

0 1
O 1.465128 -2.226409 -0.373491
N -1.867260 -0.509025 -0.193305
N -0.608901 -1.820901 1.430158
C -2.655214 2.385215 0.035333
C -3.581984 1.864125 1.164001
C -2.789833 1.594843 -1.293216
C -3.248578 0.448963 1.691321
C -1.870500 0.350877 -1.403085
C -3.123162 -0.622056 0.576040
C -0.718582 -1.160597 0.291990
C 0.544093 -1.116702 -0.617449
C 1.363589 0.153057 -0.386408
C 1.795885 0.947562 -1.475217
C 1.743652 0.511201 0.930881
C 0.899807 -3.559178 -0.661020
C 2.587202 2.098065 -1.253941
C 2.537082 1.657563 1.152631
C 2.044859 -4.561141 -0.516939
C 2.956817 2.457402 0.062493
H -3.850616 1.311701 -1.442713
H -2.527727 2.248070 -2.148965
H -2.297672 0.474762 2.258088
H -4.038836 0.135795 2.403666
H -2.909023 3.446525 -0.154222
H -1.599150 2.368478 0.372465
H -3.551406 2.573551 2.014734
H -4.626791 1.873462 0.787685
H -2.168223 -0.235009 -2.300589
H -0.845707 0.718254 -1.567630
H -3.179732 -1.637640 1.013857
H -3.974146 -0.542334 -0.125840
H 0.214814 -1.165422 -1.680601
H -1.461233 -1.797955 2.022851
H 1.530092 0.655914 -2.499882
H 1.420529 -0.126643 1.760745
H 0.087368 -3.769828 0.060433
H 0.482663 -3.570919 -1.695030
H 2.919748 2.705725 -2.103233
H 2.834096 1.926343 2.172915
H 1.684019 -5.589163 -0.706423
H 2.858710 -4.334907 -1.227787
H 2.456544 -4.516780 0.505876
H 3.572279 3.347456 0.236923


