%chk=000159346.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000159346

0 1
 O   -3.029900      -1.184500     -1.2300000E-02
 N  -0.2150000       1.083000      3.5999999E-03
 N  -0.3546000      -2.444300      4.0000002E-03
 N   -3.035800       1.115100      9.8000001E-03
 N   -4.417800       1.160600     -1.1700000E-02
 C    1.272100     -0.5800000      3.9999999E-04
 C    1.134200      0.8099000      8.9999998E-04
 C  -4.0399998E-02  -1.129700      2.7000001E-03
 C  -0.9330000     -8.2800001E-02  4.6000001E-03
 C    2.568100      -1.132700     -2.0999999E-03
 C    2.231900       1.677700     -1.0000000E-03
 C   -2.363000     -0.1218000      8.3999997E-03
 C    3.675400     -0.2769000     -3.8999999E-03
 C    3.507700       1.106400     -3.4000000E-03
 H  -0.6021000       2.015900      4.4999998E-03
 H    2.716700      -2.208800     -2.6000000E-03
 H    2.102300       2.754700     -6.0000003E-04
 H    4.677500     -0.6977000     -5.7999999E-03
 H    4.381800       1.752600     -4.9000001E-03
 H   -1.313300      -2.779400      6.2000002E-03
 H   0.3509000      -3.174900      2.9000000E-03
 H   -2.553400       2.007100      2.0300001E-02
 H   -4.707400       1.703400      0.8008000    
 H   -4.681900       1.711900     -0.8271000    


%chk=000159346-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000159346

0 1
O -3.020656 -1.038197 -0.205725
N -0.113634 1.293438 -0.092944
N -0.516987 -2.318854 0.008105
N -3.059917 1.285328 0.081841
N -4.482202 1.313164 0.160763
C 1.291552 -0.525934 0.011912
C 1.227954 0.912150 -0.054772
C -0.076139 -1.015721 -0.027541
C -0.923932 0.115908 -0.095977
C 2.552565 -1.170373 0.085863
C 2.399644 1.702969 -0.074071
C -2.370500 0.068359 -0.083315
C 3.719973 -0.384136 0.076367
C 3.640515 1.038843 -0.007408
H -0.434934 2.203439 -0.417948
H 2.626669 -2.262936 0.143499
H 2.350072 2.795970 -0.130437
H 4.702726 -0.864216 0.131035
H 4.565026 1.627034 -0.016126
H -1.528297 -2.462317 -0.083133
H 0.124670 -3.095407 0.130880
H -2.601593 2.069251 0.551506
H -4.817495 0.491660 0.688611
H -4.884078 1.305377 -0.787286


