%chk=000229989.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000229989

0 1
O -0.763539 2.173223 0.021006
N -1.419843 -0.067243 -0.003971
N -2.791889 0.308635 -0.000686
N -1.083509 -1.397496 -0.018829
N 0.096746 -1.800821 -0.022267
C 0.953889 0.497878 0.004508
C -0.436513 1.013732 0.008775
C 1.204333 -0.893077 -0.010910
C 2.038815 1.394843 0.015788
C 2.522378 -1.387345 -0.015099
C -3.482800 -0.200913 1.225718
C -3.479802 -0.169162 -1.241490
C 3.339354 0.903753 0.011635
C 3.578805 -0.483747 -0.003781
H 1.839511 2.470728 0.027714
H -3.583091 -1.295584 1.284982
H -4.488549 0.251016 1.253535
H -2.944169 0.146934 2.123542
H -4.486286 0.281600 -1.259247
H -3.578098 -1.262026 -1.330116
H -2.940038 0.203500 -2.128626
H 2.692306 -2.465345 -0.027087
H 4.183270 1.593824 0.020334
H 4.607217 -0.849707 -0.006827


%chk=000229989-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000229989

0 1
O -0.785352 2.223936 0.023033
N -1.415663 -0.063042 -0.004065
N -2.797824 0.243452 -0.001850
N -1.114215 -1.471730 -0.020115
N 0.131319 -1.865058 -0.023372
C 0.933838 0.502841 0.004837
C -0.458849 1.010297 0.009194
C 1.180748 -0.903518 -0.011214
C 2.025186 1.406479 0.016422
C 2.513008 -1.396465 -0.015696
C -3.471593 -0.188174 1.245355
C -3.468625 -0.156999 -1.260984
C 3.342330 0.912414 0.011913
C 3.586096 -0.490040 -0.004189
H 1.810688 2.479688 0.028700
H -3.534589 -1.292843 1.348151
H -4.490774 0.234829 1.242210
H -2.930408 0.227208 2.111239
H -4.487856 0.265745 -1.249734
H -3.531220 -1.258797 -1.391299
H -2.925454 0.279759 -2.115026
H 2.665312 -2.479882 -0.028146
H 4.186631 1.609716 0.020808
H 4.615763 -0.862618 -0.007568


