%chk=000123508.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000123508

0 1
 O   -1.278800       2.425300     -3.9999999E-04
 N    2.173200     -0.4545000      9.9999997E-05
 N   -1.767900      0.1104000       0.000000    
 N   1.2100000E-02  -1.530500     -3.0000001E-04
 N    1.559400       1.693700      3.0000001E-04
 N   -2.180900      -2.282100       0.000000    
 C   0.8094000     -0.4458000     -3.0000001E-04
 C   0.4642000      0.8795000     -3.9999999E-04
 C  -0.9227000       1.252700     -1.9999999E-04
 C   -1.275800      -1.244000     -9.9999997E-05
 C    2.578500      0.8572000      3.9999999E-04
 C    3.038800      -1.609200      1.9999999E-04
 C   -3.209500      0.3473000      7.9999998E-04
 H    3.622300       1.140700      8.9999998E-04
 H    2.831200      -2.195700      0.8986000    
 H    2.832200      -2.195100     -0.8988000    
 H    4.082100      -1.283900      7.9999998E-04
 H   -3.451600       1.412900      1.4000000E-03
 H   -3.644400     -0.1167000      0.8914000    
 H   -3.645300     -0.1160000     -0.8897000    
 H   -1.859100      -3.244200     -6.0000003E-04
 H   -3.183800      -2.139600     -3.9999999E-04


%chk=000123508-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000123508

0 1
O -1.478954 2.425743 0.000509
N 2.224760 -0.455899 0.000157
N -1.797007 0.076895 0.000241
N 0.014674 -1.539256 0.000031
N 1.601617 1.754767 0.000357
N -2.195880 -2.275930 0.000016
C 0.832820 -0.439773 0.000172
C 0.460152 0.929626 0.000307
C -0.937132 1.284489 0.000325
C -1.294898 -1.227824 0.000078
C 2.631745 0.895259 0.000263
C 3.068928 -1.653957 -0.000003
C -3.253713 0.322353 0.000348
H 3.683169 1.176034 0.000270
H 2.868555 -2.268075 0.894436
H 2.868986 -2.267564 -0.894891
H 4.127486 -1.348513 0.000344
H -3.383245 1.416890 0.000623
H -3.728964 -0.093373 0.908095
H -3.729028 -0.092877 -0.907600
H -1.799283 -3.212297 -0.000078
H -3.201186 -2.144320 -0.000300


