%chk=000236486.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000236486

0 1
O 5.301012 -1.024334 0.000003
O -5.300967 -1.024450 0.000165
N -0.000015 2.515573 0.000118
C 0.726998 0.310755 0.000027
C -0.726978 0.310738 0.000029
C 1.145951 1.689286 0.000067
C -1.145962 1.689261 0.000075
C 1.684988 -0.698850 -0.000004
C -1.684944 -0.698888 0.000011
C 2.499014 2.049012 0.000080
C -2.499033 2.048955 0.000104
C 3.040044 -0.344620 0.000010
C -3.040010 -0.344691 0.000053
C 3.430168 1.015998 0.000052
C -3.430163 1.015919 0.000099
C 4.133811 -1.361027 -0.000022
C -4.133759 -1.361121 0.000071
C 3.752248 -2.814818 -0.000148
C -3.752168 -2.814908 -0.000174
H -0.000025 3.518989 0.000035
H 1.371163 -1.741774 -0.000036
H -1.371094 -1.741805 -0.000007
H 2.811445 3.088680 0.000115
H -2.811489 3.088615 0.000143
H 4.503115 1.246043 0.000067
H -4.503114 1.245941 0.000138
H 3.169224 -3.086165 -0.888857
H 3.168689 -3.086242 0.888177
H 4.653050 -3.449747 0.000087
H -3.169047 -3.086453 0.888410
H -3.168695 -3.086117 -0.888623
H -4.652956 -3.449856 -0.000463


%chk=000236486-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000236486

0 1
O 5.393967 -1.023234 -0.000079
O -5.393920 -1.023355 0.000139
N -0.000016 2.504375 0.000174
C 0.730936 0.320297 0.000001
C -0.730919 0.320280 -0.000014
C 1.146933 1.697803 0.000116
C -1.146947 1.697777 0.000094
C 1.707485 -0.696194 -0.000066
C -1.707446 -0.696232 -0.000110
C 2.510322 2.067972 0.000160
C -2.510344 2.067916 0.000113
C 3.081887 -0.343398 -0.000026
C -3.081856 -0.343467 -0.000101
C 3.463256 1.036944 0.000086
C -3.463256 1.036866 0.000020
C 4.174713 -1.371769 -0.000103
C -4.174658 -1.371863 -0.000210
C 3.797268 -2.851791 -0.000134
C -3.797180 -2.851876 -0.000093
H -0.000028 3.522572 0.000229
H 1.403885 -1.748302 -0.000155
H -1.403822 -1.748333 -0.000191
H 2.820096 3.118315 0.000247
H -2.820142 3.118252 0.000197
H 4.535031 1.260631 0.000109
H -4.535036 1.260530 0.000027
H 3.196316 -3.108151 -0.892665
H 3.196049 -3.108160 0.892211
H 4.717473 -3.454973 -0.000009
H -3.196146 -3.108164 0.892405
H -3.196029 -3.108289 -0.892471
H -4.717370 -3.455080 -0.000100


