%chk=000185334.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000185334

0 1
O 4.097673 0.231045 0.433166
O 1.120237 2.049811 1.060136
O -1.373202 1.970880 -1.080443
O 2.848683 0.131595 -1.449306
N 0.550983 -0.068029 0.433735
N -2.671486 2.427392 -1.173345
C 1.917922 -0.559543 0.769834
C -0.481134 -1.009352 0.041359
C -0.741542 -1.258941 -1.324611
C -1.227385 -1.659460 1.055041
C 2.031044 -2.078473 0.781416
C 0.275035 1.290504 0.620259
C 2.937070 -0.023011 -0.257131
C -1.730949 -2.201489 -1.656876
C -2.206479 -2.589202 0.686230
C -0.032748 -0.528872 -2.407971
C -0.995210 -1.359955 2.500319
C -2.449829 -2.861597 -0.663126
C -1.104172 1.737936 0.279227
C -2.210979 2.047329 1.024819
C -3.196465 2.484252 0.053519
C 5.208678 0.782973 -0.325126
H 2.197981 -0.133352 1.780475
H 1.767731 -2.523929 -0.190283
H 3.056125 -2.392854 1.024288
H 1.364076 -2.531058 1.528870
H -1.940644 -2.408073 -2.705695
H -2.785823 -3.100807 1.452131
H 1.059030 -0.461046 -2.237071
H -0.170043 -0.981097 -3.397335
H -0.392873 0.513356 -2.478673
H 0.042562 -1.571384 2.798361
H -1.182689 -0.298898 2.722553
H -1.646006 -1.945540 3.163345
H -3.212770 -3.590470 -0.937928
H -2.351541 2.000472 2.086861
H -4.205371 2.811393 0.267454
H 6.046567 0.686932 0.372899
H 4.985977 1.830586 -0.553931
H 5.365865 0.207678 -1.242947


%chk=000185334-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000185334

0 1
O 4.000912 0.331833 0.716817
O 1.137400 1.859924 1.057291
O -2.201220 1.026103 -0.229500
O 2.789583 0.518320 -1.263279
N 0.450558 -0.244637 0.362086
N -3.333350 1.960311 -0.343896
C 1.838353 -0.692674 0.705045
C -0.566513 -1.215512 -0.019314
C -0.816533 -1.479584 -1.393362
C -1.271163 -1.889972 1.019675
C 2.081391 -2.187546 0.411799
C 0.214261 1.101145 0.604404
C 2.874008 0.143471 -0.073320
C -1.778667 -2.471244 -1.711913
C -2.228303 -2.866194 0.658043
C -0.136285 -0.696658 -2.498524
C -1.024017 -1.556952 2.480477
C -2.477615 -3.160674 -0.700620
C -1.121044 1.711363 0.348813
C -1.497137 3.022851 0.609746
C -2.856011 3.119437 0.169073
C 5.100691 1.103888 0.088906
H 2.021339 -0.481061 1.775155
H 1.950886 -2.415815 -0.659203
H 3.115655 -2.437970 0.703718
H 1.393082 -2.826981 0.987974
H -1.983773 -2.689085 -2.766565
H -2.781315 -3.391778 1.445059
H 0.876260 -0.357176 -2.223697
H -0.077049 -1.293018 -3.425715
H -0.726752 0.211751 -2.730553
H 0.034193 -1.698007 2.770478
H -1.276632 -0.503326 2.703756
H -1.639642 -2.195175 3.136239
H -3.219730 -3.921266 -0.967900
H -0.868274 3.791237 1.049326
H -3.519632 3.983640 0.196849
H 5.904770 1.106476 0.837667
H 4.756062 2.128223 -0.128768
H 5.425154 0.620035 -0.847771


