%chk=000234266.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000234266

0 1
O 2.659121 -0.182958 0.736318
O -2.659030 0.183394 -0.736466
O 3.556683 0.200337 -1.361736
O -3.556700 -0.200199 1.361469
N 4.877746 0.082857 0.575179
N -4.877611 -0.083238 -0.575628
C 0.807702 1.178097 -0.136124
C -0.807609 -1.177717 0.135959
C 1.330775 -0.058240 0.292051
C -1.330687 0.058626 -0.292206
C -0.562511 1.219109 -0.425621
C 0.562600 -1.218729 0.425454
C 1.669605 2.381664 -0.282507
C -1.669502 -2.381296 0.282318
C 3.703911 0.031443 -0.174773
C -3.703861 -0.031377 0.174491
C 6.163086 -0.130376 -0.126270
C -6.163038 0.130219 0.125630
H -1.036207 2.140708 -0.761315
H 1.036304 -2.140327 0.761138
H 2.329407 2.516774 0.587431
H 2.320833 2.280433 -1.171041
H 1.093104 3.306897 -0.403550
H -2.329190 -2.516488 -0.587693
H -2.320841 -2.280029 1.170768
H -1.092990 -3.306505 0.403491
H 4.843248 -0.204097 1.553643
H -4.842986 0.203918 -1.554047
H 6.467409 -1.189936 -0.141956
H 6.096418 0.221570 -1.174991
H 6.946469 0.462272 0.377905
H -6.095837 -0.219149 1.175179
H -6.945818 -0.464596 -0.376968
H -6.468603 1.189441 0.138768


%chk=000234266-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000234266

0 1
O 2.694221 -0.131058 0.807310
O -2.694248 0.131963 -0.808436
O 3.598326 0.091043 -1.384421
O -3.597124 -0.096129 1.383110
N 4.940961 -0.162148 0.533821
N -4.940869 0.162306 -0.533698
C 0.817143 1.193585 -0.116144
C -0.817138 -1.192256 0.114852
C 1.341758 -0.039204 0.345133
C -1.341664 0.040418 -0.346627
C -0.554530 1.200925 -0.462239
C 0.554519 -1.199626 0.460980
C 1.670204 2.439101 -0.230164
C -1.670624 -2.437415 0.229618
C 3.753663 -0.051521 -0.149823
C -3.753204 0.049591 0.148975
C 6.237158 -0.134197 -0.147502
C -6.236680 0.132867 0.148297
H -1.024791 2.120123 -0.826084
H 1.024679 -2.118777 0.825079
H 2.292734 2.581566 0.671951
H 2.356358 2.360858 -1.093654
H 1.043721 3.336646 -0.364087
H -2.293190 -2.580180 -0.672418
H -2.356806 -2.358437 1.093044
H -1.044475 -3.335102 0.364111
H 4.887661 -0.285033 1.545175
H -4.888120 0.287877 -1.544750
H 6.786969 -1.083100 -0.005868
H 6.052199 0.006747 -1.224273
H 6.863903 0.700860 0.216382
H -6.051118 -0.010827 1.224601
H -6.863770 -0.701170 -0.217329
H -6.786425 1.082210 0.009375


