%chk=000148131.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000148131

0 1
 O    4.305900     -0.7709000      3.9999999E-04
 N  -0.3991000       2.041200      3.0000001E-04
 N   -3.563900      -2.499000      6.9999998E-04
 C  -0.6506000     -0.1745000      1.9999999E-04
 C   -1.339900       1.038500      1.9999999E-04
 C   0.7479000      0.1289000      9.9999997E-05
 C   0.8727000       1.518500      1.9999999E-04
 C   -1.394800      -1.373100      9.9999997E-05
 C   -2.737400       1.115200       0.000000    
 C   -2.793000      -1.312400     -9.9999997E-05
 C   -3.452300     -8.5600004E-02 -1.9999999E-04
 C    1.921800     -0.6536000     -1.9999999E-04
 C    2.112900       2.167300       0.000000    
 C  -0.7298000      -2.716400     -8.9999998E-04
 C   -3.475700       2.412300     -3.9999999E-04
 C    3.169200     -1.9200001E-02 -5.0000002E-04
 C    3.261000       1.370600     -1.9999999E-04
 C    4.145200      -2.187800      1.9999999E-04
 H  -0.6063000       3.030100      3.0000001E-04
 H   -4.540700     -5.6000002E-02 -3.9999999E-04
 H    1.817400      -1.727500     -2.2800000E-02
 H    2.184900       3.249800      1.9999999E-04
 H  -0.4115000      -2.980400      -1.013900    
 H   0.1371000      -2.714000      0.6642000    
 H   -1.347300      -3.525500      0.3959000    
 H   -2.807800       3.277900      1.0300000E-02
 H   -4.101800       2.487600     -0.8957000    
 H   -4.117900       2.479300      0.8841000    
 H    4.237000       1.850200     -9.9999997E-05
 H   -3.162400      -3.391900     -0.2437000    
 H   -4.573300      -2.419300      5.1000002E-03
 H    3.652100      -2.538000     -0.9131000    
 H    3.641400      -2.538000      0.9076000    
 H    5.148900      -2.625700      6.0999999E-03


%chk=000148131-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000148131

0 1
O 4.408576 -0.719050 -0.077337
N -0.438248 2.077102 0.007491
N -3.678052 -2.495945 -0.012419
C -0.707380 -0.222750 0.020482
C -1.391369 1.040526 0.005828
C 0.725898 0.084542 0.008770
C 0.847247 1.519094 0.009134
C -1.449788 -1.439162 0.050007
C -2.800932 1.148241 -0.007328
C -2.871379 -1.341823 0.000234
C -3.516657 -0.063463 -0.025411
C 1.909832 -0.703716 -0.028007
C 2.103129 2.164776 -0.001671
C -0.771027 -2.793246 0.151757
C -3.492301 2.498334 -0.016397
C 3.162391 -0.052614 -0.040613
C 3.260802 1.368624 -0.021664
C 4.383766 -2.178881 -0.100395
H -0.650190 3.070927 0.001393
H -4.613839 -0.029051 -0.057391
H 1.850699 -1.793102 -0.065490
H 2.184290 3.257202 0.001927
H -0.518682 -3.218824 -0.841179
H 0.164954 -2.722321 0.729781
H -1.407096 -3.528222 0.680179
H -3.247086 3.089757 0.888332
H -3.198063 3.104245 -0.896649
H -4.588880 2.383774 -0.047341
H 4.258805 1.816854 -0.031721
H -3.281801 -3.415272 -0.171837
H -4.689087 -2.406739 -0.008619
H 3.865270 -2.562626 -1.002095
H 3.896194 -2.591620 0.805810
H 5.439904 -2.486969 -0.123560


