%chk=000228479.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000228479

0 1
O 2.945280 -3.717419 -0.318297
O 0.595727 3.779790 -0.114922
O 1.208943 -2.409861 0.180137
O 2.518184 3.433899 0.967266
N -0.154941 1.245833 0.328223
N -0.588042 -0.014058 0.276988
C 2.663883 -0.047348 -0.752761
C 2.268694 0.557106 0.602946
C 3.330871 -1.416969 -0.605781
C 1.124194 1.524178 0.457325
C 2.357701 -2.482169 -0.206092
C -2.000424 -0.256508 0.180388
C 1.507775 2.954876 0.495315
C -2.404570 -1.607056 0.163238
C -2.945071 0.781160 0.098402
C -3.763812 -1.904387 0.063689
C -4.298774 0.456657 -0.000030
C -4.712861 -0.879533 -0.017708
H 1.778158 -0.128942 -1.416992
H 3.356119 0.643935 -1.277091
H 3.143612 1.071102 1.063070
H 1.992697 -0.237114 1.329605
H 4.158567 -1.377303 0.140336
H 3.832632 -1.709869 -1.557249
H 0.044475 -0.840098 0.331622
H -1.670343 -2.409361 0.226558
H -2.621812 1.823752 0.110398
H -4.086053 -2.945350 0.050019
H -5.037992 1.255354 -0.063761
H -5.770256 -1.121197 -0.094428
H 2.339044 -4.463585 -0.054866
H 0.871491 4.736585 -0.063347


%chk=000228479-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000228479

0 1
O 2.953599 -3.773382 -0.040792
O 0.500458 3.957065 0.347902
O 1.115170 -2.387957 0.132112
O 2.749633 3.413232 0.556400
N -0.162790 1.347028 0.298387
N -0.568803 0.056793 0.255547
C 2.592346 -0.093591 -0.812996
C 2.230374 0.569305 0.552704
C 3.280940 -1.462454 -0.648268
C 1.137302 1.615612 0.428681
C 2.332229 -2.534666 -0.150620
C -1.950670 -0.245179 0.148990
C 1.547326 3.031060 0.453037
C -2.333400 -1.611762 0.099816
C -2.931512 0.778739 0.094032
C -3.699354 -1.948199 -0.003423
C -4.291525 0.423095 -0.009690
C -4.686530 -0.936217 -0.058664
H 1.687575 -0.215724 -1.437524
H 3.265873 0.585263 -1.365700
H 3.129031 1.052973 0.970133
H 1.905029 -0.207212 1.274656
H 4.132756 -1.404642 0.057207
H 3.709114 -1.819209 -1.604879
H 0.095035 -0.741745 0.275751
H -1.566680 -2.394234 0.142965
H -2.609445 1.822460 0.133840
H -3.992544 -3.003540 -0.040379
H -5.049726 1.213336 -0.051703
H -5.746120 -1.201748 -0.138151
H 2.302925 -4.454230 0.284212
H 0.905481 4.865832 0.378618


