%chk=000185937.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000185937

0 1
O 0.256397 2.900197 -0.000514
N -1.345649 1.283956 0.000160
N -0.638863 -1.062605 0.000291
N -1.280278 -2.294407 0.000325
N -2.869934 -0.740644 0.000129
N -2.551606 -2.064884 -0.000033
C 0.742915 -0.741466 0.000192
C 1.054853 0.638182 0.000091
C -1.677415 -0.059614 0.000153
C 0.033421 1.708902 0.000379
C 1.744398 -1.726800 0.000095
C 2.414488 1.012607 -0.000138
C -2.449248 2.277200 -0.000355
C 3.076143 -1.322128 -0.000112
C 3.411316 0.043145 -0.000218
H 1.471599 -2.785607 0.000142
H 2.666564 2.079633 -0.000166
H -2.027480 3.301750 0.001368
H -3.084847 2.152303 0.894948
H -3.082261 2.154277 -0.897758
H 3.869723 -2.073651 -0.000208
H 4.460763 0.340655 -0.000373


%chk=000185937-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000185937

0 1
O 0.280424 2.964019 -0.000733
N -1.343596 1.273785 0.000218
N -0.648410 -1.027129 0.000340
N -1.254545 -2.314566 0.000540
N -2.860450 -0.678191 -0.000305
N -2.578258 -2.067219 -0.000247
C 0.726795 -0.726719 0.000261
C 1.056918 0.660211 0.000246
C -1.641620 -0.071854 0.000148
C 0.016401 1.729674 0.000757
C 1.720925 -1.728787 0.000116
C 2.424967 1.030552 -0.000077
C -2.457171 2.249197 -0.000335
C 3.071853 -1.332747 -0.000154
C 3.426184 0.042817 -0.000264
H 1.426798 -2.781569 0.000147
H 2.666427 2.098162 -0.000069
H -2.010017 3.253740 0.000984
H -3.083745 2.104943 0.895033
H -3.081633 2.106486 -0.897440
H 3.855593 -2.097259 -0.000306
H 4.481158 0.333456 -0.000463


