%chk=000001802.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000001802

0 1
 O    3.622500       1.549400      7.1999999E-03
 N  -0.1097000     -0.4398000      3.9999999E-04
 N   0.3416000      -1.712900      4.9999999E-03
 N   0.6524000       1.813100     -7.6000001E-03
 N    4.489300     -0.5736000     -1.0000000E-03
 C   0.9038000      0.4853000     -3.8000001E-03
 C   -1.469700     -0.1897000      5.0000002E-04
 C    2.077500     -0.2282000     -1.8000000E-03
 C    1.670100      -1.575800      3.8000001E-03
 C   -2.156500     -6.8099998E-02  -1.207500    
 C   -2.155000     -5.9999999E-02   1.208400    
 C    3.403100      0.3135000     -4.3000001E-03
 C   -3.528500      0.1831000      -1.207700    
 C   -3.527100      0.1911000       1.208400    
 C   -4.213800      0.3127000      1.9999999E-04
 H    2.275400      -2.471000      7.0000002E-03
 H   -1.635600     -0.1668000      -2.157000    
 H   -1.633200     -0.1524000       2.157900    
 H   -4.063200      0.2778000      -2.148200    
 H   -4.060800      0.2921000       2.148800    
 H    1.401700       2.498300     -1.0300000E-02
 H  -0.2869000       2.198200     -8.2999999E-03
 H   -5.282100      0.5083000      1.9999999E-04
 H    4.377000      -1.581900     -3.1000001E-03
 H    5.441300     -0.2226000      3.5000001E-03


%chk=000001802-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000001802

0 1
O 3.535709 1.623499 -0.007877
N -0.127841 -0.484569 0.002063
N 0.348835 -1.833467 0.007076
N 0.774915 1.792506 -0.006541
N 4.559419 -0.459664 -0.000674
C 0.907286 0.432406 -0.001690
C -1.538561 -0.201611 0.001230
C 2.120050 -0.317176 0.000657
C 1.698095 -1.689526 0.005799
C -2.225301 -0.066447 -1.227887
C -2.225875 -0.061543 1.229470
C 3.425909 0.339076 -0.002293
C -3.610022 0.214026 -1.225565
C -3.610606 0.218862 1.225354
C -4.302825 0.357758 -0.000551
H 2.310138 -2.592222 0.008878
H -1.675751 -0.193957 -2.166115
H -1.676733 -0.185216 2.168443
H -4.146809 0.314265 -2.174966
H -4.147846 0.322887 2.174090
H 1.671485 2.300388 -0.008282
H -0.130766 2.253622 -0.008031
H -5.377053 0.572545 -0.001229
H 4.509301 -1.475611 0.002768
H 5.468449 -0.000732 -0.003427


