%chk=000161372.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000161372

1 1
 O    4.155800      -1.015500      6.9999998E-04
 O    4.031700       1.742800      3.0000001E-04
 N   -1.891700     -0.6036000     -1.9999999E-04
 C   0.5147000     -0.4917000     -3.9999999E-04
 C   0.4578000      0.9106000     -3.9999999E-04
 C    1.764500      -1.132900     -1.9999999E-04
 C   -1.974300      0.7692000       0.000000    
 C  -0.6801000      -1.213500     -5.0000002E-04
 C  -0.7939000       1.530600     -3.0000001E-04
 C    1.653300       1.649600     -3.0000001E-04
 C    2.944300     -0.3887000       0.000000    
 C    2.888700       1.001600      9.9999997E-05
 C   -3.024800      -1.350600     -9.9999997E-05
 C   -3.239000       1.381300      1.9999999E-04
 C    1.869400      -2.628700      9.9999997E-05
 C   -4.284400     -0.7697000      3.9999999E-04
 C   -4.391900      0.6091000      6.0000003E-04
 H  -0.7082000      -2.298100     -5.0000002E-04
 H  -0.8571000       2.618200     -3.0000001E-04
 H    1.615700       2.737600     -3.0000001E-04
 H   -2.909900      -2.430100     -3.9999999E-04
 H   -3.329500       2.465100      3.9999999E-04
 H    2.899700      -2.996700     -1.9999999E-04
 H    1.391400      -3.042800      0.8946000    
 H    1.390900      -3.043200     -0.8940000    
 H   -5.173900      -1.391100      5.0000002E-04
 H   -5.368300       1.083400      8.9999998E-04
 H    4.853500     -0.3374000      8.9999998E-04
 H    3.798400       2.687000      3.0000001E-04


%chk=000161372-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000161372

1 1
O 4.192168 -0.981691 0.000105
O 4.131736 1.646656 0.000038
N -1.923795 -0.602795 0.000058
C 0.521939 -0.496474 0.000039
C 0.448241 0.970356 0.000052
C 1.796568 -1.179284 0.000024
C -2.022183 0.820393 0.000072
C -0.681622 -1.218521 0.000049
C -0.828844 1.571860 0.000065
C 1.655096 1.735493 0.000058
C 2.947697 -0.386366 0.000045
C 2.871016 1.065346 0.000067
C -3.096996 -1.385524 0.000057
C -3.330623 1.409333 0.000101
C 1.908592 -2.687531 0.000021
C -4.346214 -0.802249 0.000088
C -4.478302 0.629016 0.000114
H -0.695870 -2.309720 0.000054
H -0.922098 2.661798 0.000080
H 1.609446 2.829994 0.000055
H -2.944044 -2.466810 0.000037
H -3.389659 2.501307 0.000118
H 2.965069 -2.991702 -0.000289
H 1.432116 -3.131693 0.894554
H 1.431560 -3.131740 -0.894188
H -5.226740 -1.449120 0.000094
H -5.468628 1.090669 0.000150
H 4.912606 -0.294485 0.000128
H 4.134570 2.635284 0.000052