%chk=000170777.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000170777

0 1
 O   -2.857400      -1.190000       1.513500    
 O  -0.4547000       2.274300     -0.7329000    
 O    3.534300       2.190400     -0.1994000    
 N   -4.947300      -1.649900     -1.1800000E-02
 N   -1.677400     -3.5200000E-02 -0.1284000    
 N    1.048400       2.097000       1.026500    
 N    3.263100      -1.861100     -3.9600000E-02
 N    3.147800       4.378800     -0.7888000    
 N    4.292300      -3.954500     -0.6125000    
 N    5.333200      -2.490700      0.7905000    
 C   -3.846400     -0.9209000     -0.6412000    
 C   -4.433800      0.4183000      -1.073200    
 C   -5.849000      0.4349000     -0.5074000    
 C   -5.843100     -0.6462000      0.5537000    
 C   -2.756500     -0.7489000      0.3717000    
 C  -0.5103000      0.2852000      0.6520000    
 C   0.5520000     -0.8185000      0.5738000    
 C    1.088700      -1.071100     -0.8431000    
 C   1.5799999E-02   1.649000      0.2152000    
 C    2.114500      -2.200300     -0.8814000    
 C    1.695200       3.375000      0.8389000    
 C    2.870900       3.218800     -9.7800002E-02
 C    4.219600      -2.734200      2.1700000E-02
 H   -3.450400      -1.485100      -1.492200    
 H   -3.876700       1.280500     -0.6899000    
 H   -4.470200      0.5039000      -2.165000    
 H   -6.566200      0.1867000      -1.299700    
 H   -6.120500       1.414400     -0.1023000    
 H   -5.452600     -0.2601000       1.502100    
 H   -6.843000      -1.052200      0.7304000    
 H   -4.624200      -2.307300      0.6951000    
 H  -0.8261000      0.3828000       1.699000    
 H   -1.691100      0.2551000      -1.102400    
 H   0.1174000      -1.753200      0.9520000    
 H    1.385000     -0.5765000       1.243300    
 H    1.550600     -0.1551000      -1.230400    
 H   0.2633000      -1.327600      -1.517000    
 H    2.434200      -2.342300      -1.920800    
 H    1.641700      -3.126600     -0.5328000    
 H    1.359900       1.524700       1.805200    
 H   0.9724000       4.095500      0.4434000    
 H    2.059000       3.721400       1.810600    
 H    2.600600       5.226100     -0.6754000    
 H    3.921200       4.422000      -1.444200    
 H    3.555200      -4.293100      -1.220600    
 H    5.097000      -4.559800     -0.4902000    
 H    6.091900      -3.160800      0.8524000    
 H    5.426100      -1.630700       1.320000    


%chk=000170777-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000170777

0 1
O -2.930100 -1.645172 0.922184
O 0.000625 2.259587 0.443137
O 4.283111 2.134908 -0.977281
N -4.983239 -1.152591 -0.891774
N -1.636443 0.131899 0.135813
N 1.818004 0.873664 0.948483
N 3.063764 -1.338462 0.090384
N 2.183180 3.144863 -1.156029
N 4.992953 -2.718358 -0.277110
N 5.227686 -0.395009 -0.034476
C -3.915465 -0.129683 -0.759053
C -4.628228 1.152959 -0.211425
C -6.088421 0.955808 -0.688228
C -6.297841 -0.565281 -0.501305
C -2.787036 -0.619119 0.178386
C -0.481428 -0.069530 1.031806
C 0.141839 -1.483642 0.962855
C 0.714962 -1.905752 -0.417787
C 0.489746 1.103064 0.762607
C 2.158193 -2.444776 -0.306780
C 2.742955 2.023032 0.946669
C 3.146225 2.446614 -0.480990
C 4.375007 -1.482297 -0.064483
H -3.464530 0.095030 -1.749460
H -4.591489 1.162140 0.894554
H -4.169001 2.086954 -0.579204
H -6.182794 1.223142 -1.756970
H -6.812997 1.557985 -0.113446
H -6.564280 -0.780396 0.558970
H -7.112440 -0.950248 -1.141989
H -4.735730 -2.002163 -0.363401
H -0.823081 0.069684 2.083234
H -1.642155 1.041971 -0.342065
H -0.641326 -2.189825 1.284393
H 0.941688 -1.517027 1.727759
H 0.716675 -1.052267 -1.122859
H 0.072750 -2.684005 -0.869710
H 2.470891 -2.882071 -1.280973
H 2.167591 -3.271709 0.442011
H 2.306070 -0.097372 0.708424
H 2.265040 2.872396 1.465746
H 3.659721 1.731141 1.482774
H 1.246359 3.213002 -0.722156
H 2.348033 3.417321 -2.125642
H 4.479561 -3.580286 -0.116465
H 5.913195 -2.776579 -0.705972
H 6.214507 -0.531268 0.172295
H 4.902093 0.550624 -0.314852


