%chk=000180474.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000180474

0 1
O 2.214317 0.889880 -1.060947
O -2.096577 0.781174 1.309527
O -0.255026 -2.356845 0.197670
O 1.378185 -1.771287 -1.093494
N 0.541944 -1.544803 -0.230106
C 0.484482 -0.132221 0.341967
C -0.559484 0.666447 -0.447173
C 1.899274 0.517227 0.285238
C -1.992775 0.287756 -0.046803
C 1.957684 1.808256 1.085144
C -3.039671 0.950725 -0.932049
H 0.143991 -0.206623 1.415082
H -0.401850 0.566783 -1.539176
H -0.399003 1.751057 -0.235893
H 2.663963 -0.215893 0.636387
H -2.135035 -0.818912 -0.008204
H 2.921031 2.313600 0.917259
H 1.180176 2.519895 0.770966
H 1.843556 1.636238 2.160502
H -2.988872 2.045722 -0.864171
H -2.911674 0.681576 -1.987520
H -4.057031 0.657424 -0.648330
H 2.311008 0.077525 -1.622389
H -3.004913 0.681698 1.647813


%chk=000180474-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000180474

0 1
O 2.295659 0.851583 -1.103408
O -2.156036 0.600135 1.329338
O -0.005696 -2.423808 0.608737
O 1.120275 -1.742832 -1.248903
N 0.531668 -1.512099 -0.114659
C 0.480723 -0.053728 0.367312
C -0.581113 0.698363 -0.464167
C 1.916534 0.546409 0.277447
C -2.016039 0.276260 -0.110128
C 2.030800 1.853284 1.070434
C -3.064134 1.019515 -0.953987
H 0.146932 -0.118388 1.416287
H -0.387823 0.564273 -1.542531
H -0.473430 1.774684 -0.240141
H 2.617694 -0.203900 0.707542
H -2.135050 -0.820174 -0.253501
H 3.070078 2.217046 1.012443
H 1.376664 2.633239 0.645403
H 1.765322 1.702564 2.131502
H -2.976898 2.110260 -0.802527
H -2.930968 0.802235 -2.029899
H -4.089966 0.713173 -0.675663
H 2.201455 0.008986 -1.626586
H -3.038951 0.289318 1.650954


