%chk=000239366.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000239366

0 1
O -4.688864 -0.230339 -0.087123
O 1.686090 2.673536 0.315539
O 6.710683 -2.844262 -0.282408
O 7.523312 -0.854169 -0.034760
O -2.275239 3.547716 0.228729
O -7.024556 -2.824564 -0.400561
O -7.273262 -0.683767 -0.130990
N 1.295502 0.406413 0.034105
N -0.525597 2.028241 0.207071
N -1.320527 0.917595 0.064586
N 6.593870 -1.637506 -0.140219
N -6.604673 -1.688392 -0.259914
N -0.203103 4.430386 0.602669
C 2.648565 -0.046134 -0.002032
C 2.838442 -1.439888 -0.165377
C 3.752392 0.818682 0.114943
C 5.228027 -1.087007 -0.092497
C 4.127345 -1.954946 -0.209988
C 5.040875 0.296087 0.069489
C -3.291603 -0.346492 -0.106179
C 0.904791 1.744953 0.192265
C -2.909602 -1.665296 -0.270618
C -5.151820 -1.544779 -0.247858
C -4.108642 -2.439949 -0.362352
C -2.622679 0.940370 0.049274
C -1.070918 3.398106 0.336926
H 1.987771 -2.114231 -0.256504
H 3.609650 1.899420 0.241288
H 0.563555 -0.316058 -0.063464
H 4.298606 -3.031610 -0.335835
H 5.914392 0.954948 0.159056
H -1.905987 -2.047265 -0.321673
H -4.179484 -3.509122 -0.494552
H -3.304089 1.817895 0.138026
H -0.583351 5.369315 0.653408
H 0.812428 4.330514 0.641529


%chk=000239366-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000239366

0 1
O -4.573590 -0.319096 -0.110710
O 1.767530 2.939382 0.357780
O 6.353912 -3.190818 -0.347774
O 7.419757 -1.188752 -0.086933
O -2.369145 3.659764 0.401976
O -6.678603 -3.192203 -0.479007
O -7.212933 -0.966968 -0.226890
N 1.272365 0.659002 0.076309
N -0.498799 2.209514 0.246528
N -1.230661 1.029643 0.096653
N 6.350770 -1.907586 -0.187958
N -6.370978 -1.939356 -0.327951
N -0.241151 4.586575 0.535157
C 2.560612 0.082708 0.018282
C 2.623156 -1.330127 -0.157023
C 3.763337 0.836398 0.125070
C 5.043489 -1.222128 -0.116978
C 3.859878 -1.986885 -0.225151
C 5.003270 0.178541 0.056789
C -3.159984 -0.332807 -0.090521
C 0.941763 1.986248 0.234044
C -2.707996 -1.654166 -0.238171
C -4.963760 -1.647165 -0.272353
C -3.859637 -2.492943 -0.354219
C -2.549174 0.969197 0.071880
C -1.112934 3.544476 0.401804
H 1.696624 -1.910257 -0.239668
H 3.712345 1.917552 0.258388
H 0.435989 0.057966 -0.005027
H 3.929446 -3.069263 -0.358997
H 5.941613 0.733734 0.135971
H -1.668031 -1.970261 -0.258607
H -3.897911 -3.571559 -0.480791
H -3.208074 1.838403 0.166091
H -0.655773 5.511475 0.640546
H 0.775579 4.420165 0.525459


