%chk=000096229.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000096229

0 1
 O    1.967200       1.646600      0.6975000    
 O   -1.967300      -1.646600      0.6975000    
 N    2.675100      -1.708800      0.1997000    
 N   -2.675100       1.708800      0.1997000    
 N    3.021000     -0.3650000     -3.7000000E-03
 N   -3.021000      0.3649000     -3.5999999E-03
 C    0.000000       0.000000       2.159100    
 C    1.130900     -0.4931000       1.340400    
 C   -1.130900      0.4931000       1.340400    
 C    1.571900      -1.728200       1.051900    
 C   -1.571900       1.728200       1.051800    
 C    2.059200      0.4314000      0.6236000    
 C   -2.059200     -0.4315000      0.6236000    
 C   0.9821000      -3.021500       1.505900    
 C  -0.9821000       3.021600       1.506000    
 C    4.293400      5.1600002E-02 -0.4687000    
 C   -4.293300     -5.1700000E-02 -0.4686000    
 C    2.762800      -2.627300     -0.9317000    
 C   -2.762800       2.627300     -0.9317000    
 C    4.487500       1.365000     -0.9078000    
 C   -4.487500      -1.364900     -0.9079000    
 C    5.364000     -0.8474000     -0.4907000    
 C   -5.364000      0.8474000     -0.4906000    
 C    5.740200       1.775200      -1.364600    
 C   -5.740200      -1.775100      -1.364600    
 C    6.616600     -0.4372000     -0.9472000    
 C   -6.616700      0.4372000     -0.9472000    
 C    6.804600      0.8741000      -1.384200    
 C   -6.804600     -0.8741000      -1.384200    
 H   0.3650000      0.7855000       2.830900    
 H  -0.3649000     -0.7855000       2.830900    
 H    1.754600      -3.650500       1.960800    
 H   0.5465000      -3.565300      0.6617000    
 H   0.1950000      -2.882900       2.252100    
 H   -1.754500       3.650600       1.960800    
 H  -0.5464000       3.565400      0.6617000    
 H  -0.1950000       2.882900       2.252100    
 H    2.897000      -3.653400     -0.5732000    
 H    3.589800      -2.408100      -1.611300    
 H    1.842500      -2.587800      -1.526200    
 H   -1.842500       2.587800      -1.526200    
 H   -2.897000       3.653400     -0.5732000    
 H   -3.589800       2.408100      -1.611300    
 H    3.678700       2.087900     -0.9351000    
 H   -3.678700      -2.087800     -0.9352000    
 H    5.269900      -1.865500     -0.1240000    
 H   -5.269900       1.865500     -0.1240000    
 H    5.885500       2.794400      -1.710600    
 H   -5.885500      -2.794300      -1.710700    
 H    7.448000      -1.136000     -0.9549000    
 H   -7.448100       1.136100     -0.9548000    
 H    7.780000       1.193600      -1.739300    
 H   -7.780000      -1.193500      -1.739300    


%chk=000096229-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000096229

0 1
O 2.357204 1.776604 0.919928
O -2.358370 -1.776999 0.920077
N 2.832804 -1.624758 -0.038232
N -2.832387 1.624433 -0.038578
N 3.240306 -0.249766 -0.027675
N -3.240489 0.249617 -0.027874
C -0.000171 -0.000598 1.853040
C 1.203209 -0.417274 1.037724
C -1.203355 0.416367 1.037584
C 1.554400 -1.673856 0.566764
C -1.554013 1.673048 0.566515
C 2.252597 0.531753 0.671706
C -2.253066 -0.532280 0.671491
C 0.778996 -2.959084 0.612821
C -0.778035 2.957934 0.612524
C 4.611590 0.101414 -0.209981
C -4.611941 -0.100985 -0.210039
C 3.118891 -2.380972 -1.279741
C -3.118058 2.380633 -1.280193
C 4.932076 1.413869 -0.643551
C -4.933019 -1.413317 -0.643544
C 5.646433 -0.832948 0.058913
C -5.646370 0.833810 0.058949
C 6.284544 1.776913 -0.812920
C -6.285656 -1.775801 -0.812768
C 6.993471 -0.459722 -0.133928
C -6.993583 0.461140 -0.133742
C 7.320936 0.844397 -0.571728
C -7.321635 -0.842849 -0.571487
H 0.311159 0.834644 2.507340
H -0.311594 -0.835914 2.507208
H 1.313797 -3.733077 1.194674
H 0.597368 -3.366260 -0.400025
H -0.211688 -2.782980 1.063353
H -1.312489 3.732191 1.194342
H -0.596203 3.364988 -0.400334
H 0.212554 2.781395 1.063095
H 2.904983 -3.444748 -1.094001
H 4.183768 -2.279922 -1.538228
H 2.505777 -2.022669 -2.130426
H -2.505014 2.021990 -2.130785
H -2.903735 3.444341 -1.094548
H -4.182952 2.279991 -1.538770
H 4.127681 2.131860 -0.817223
H -4.128942 -2.131647 -0.817283
H 5.392927 -1.824018 0.449588
H -5.392417 1.824775 0.449599
H 6.528076 2.793586 -1.140713
H -6.529645 -2.792379 -1.140515
H 7.787817 -1.184839 0.075839
H -7.787606 1.186588 0.076102
H 8.367985 1.132354 -0.714450
H -8.368818 -1.130375 -0.714093


