%chk=000258989.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000258989

0 1
O 3.250716 -2.275941 -0.055734
O -3.251071 -2.273666 0.062470
N 1.364758 -1.113656 0.436576
N -1.364156 -1.115171 -0.435069
N 3.635754 0.908434 0.985567
N -3.633999 0.905103 -0.996247
C 0.562881 -2.364540 0.530239
C 0.564080 0.128214 0.528062
C -0.563066 -2.367048 -0.521903
C -0.562767 0.125745 -0.533077
C 2.710006 -1.189634 0.095066
C -2.709643 -1.188510 -0.093925
C 3.495274 0.091222 -0.091087
C -3.494231 0.093803 0.084956
C 4.106937 0.340089 -1.331343
C -4.106072 0.349872 1.323662
C 4.898380 1.486022 -1.460368
C -4.896911 1.496937 1.446130
C 4.415056 2.010586 0.843613
C -4.412735 2.008456 -0.860604
C 5.060384 2.335196 -0.362694
C -5.058175 2.340104 0.343723
H 0.143076 -2.441312 1.558308
H 1.230039 -3.249593 0.382653
H 1.198422 1.031137 0.401393
H 0.131369 0.192143 1.554210
H -0.143318 -2.449711 -1.549542
H -1.230793 -3.250857 -0.369485
H -1.196586 1.029688 -0.411109
H -0.130017 0.184056 -1.559547
H 3.981799 -0.356586 -2.160166
H -3.981526 -0.342266 2.156362
H 5.389753 1.708595 -2.408264
H -5.388398 1.725038 2.392652
H 4.516890 2.642170 1.734543
H -4.513993 2.635147 -1.755047
H 5.677520 3.228354 -0.434115
H -5.674835 3.233983 0.410040


%chk=000258989-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000258989

0 1
O 3.327764 -2.227217 -0.124940
O -3.331311 -2.234287 0.140745
N 1.416168 -0.953821 0.220705
N -1.420559 -0.963957 -0.223741
N 3.068387 1.293619 -0.900715
N -3.062592 1.285305 0.900698
C 0.629239 -2.189155 0.455041
C 0.629228 0.285228 0.427813
C -0.629074 -2.199782 -0.437629
C -0.638986 0.273740 -0.454345
C 2.759399 -1.080078 -0.097295
C -2.762579 -1.087954 0.099497
C 3.618930 0.131129 -0.426761
C -3.618439 0.127529 0.421078
C 5.022885 -0.040501 -0.297624
C -5.022348 -0.035012 0.282770
C 5.879484 1.021582 -0.651833
C -5.874230 1.031947 0.634026
C 3.910075 2.306943 -1.253597
C -3.900068 2.303103 1.251093
C 5.315843 2.222085 -1.143975
C -5.305706 2.227460 1.132729
H 0.326703 -2.232778 1.520231
H 1.276309 -3.052459 0.233915
H 1.244142 1.154919 0.161871
H 0.324950 0.339472 1.492632
H -0.326795 -2.261009 -1.502024
H -1.272426 -3.061933 -0.201448
H -1.255917 1.146599 -0.204757
H -0.336043 0.308811 -1.520431
H 5.397620 -1.004214 0.056046
H -5.401705 -0.995608 -0.074519
H 6.964697 0.914043 -0.553496
H -6.959510 0.931861 0.528856
H 3.429951 3.213949 -1.638273
H -3.416479 3.205912 1.641266
H 5.943442 3.068768 -1.439007
H -5.929642 3.077367 1.426300


