%chk=000240943.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000240943

0 1
O -1.772051 -3.166978 0.445606
O 6.403615 0.287480 1.209280
O 6.622948 0.790958 -0.952984
N 0.268546 -0.253813 -0.282908
C -2.009709 -0.829932 0.399976
C -2.823696 0.329385 0.171805
C -0.578124 -0.720625 0.846781
C -4.177755 0.162826 -0.231554
C -2.581028 -2.080088 0.213050
C -4.713239 -1.152675 -0.406642
C -2.319135 1.660413 0.334596
C -3.937414 -2.261419 -0.191029
C 1.641080 -0.117280 -0.189239
C -4.993272 1.316639 -0.458680
C -3.124322 2.748474 0.109842
C -4.480951 2.578078 -0.292291
C 2.364875 0.242554 -1.365292
C 2.336779 -0.286040 1.038487
C 3.732410 0.432632 -1.297726
C 3.708236 -0.090858 1.081916
C 4.423023 0.270415 -0.076492
C 5.865972 0.482070 -0.055836
H -0.488441 -0.005317 1.699633
H -0.208820 -1.711742 1.216826
H -0.185087 -0.198535 -1.190284
H -5.755014 -1.256917 -0.716191
H -1.280311 1.798441 0.637579
H -4.331746 -3.265505 -0.320443
H -6.028671 1.171387 -0.766088
H -2.738886 3.760929 0.234526
H -5.094180 3.461310 -0.462569
H 1.843536 0.368564 -2.309263
H 1.805494 -0.567057 1.941344
H 4.298868 0.710758 -2.192665
H 4.253602 -0.217181 2.023071
H -2.245866 -4.023507 0.299952
H 7.384934 0.432458 1.217506


%chk=000240943-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000240943

0 1
O -1.897853 -3.314038 0.469311
O 6.455082 0.411671 1.279142
O 6.612485 0.987992 -0.965660
N 0.272636 -0.374049 -0.320732
C -2.035703 -0.912460 0.379556
C -2.807306 0.285937 0.149733
C -0.575134 -0.845756 0.791796
C -4.206790 0.183362 -0.221607
C -2.668025 -2.157937 0.236834
C -4.798143 -1.114750 -0.352446
C -2.236510 1.598668 0.279696
C -4.048504 -2.265883 -0.127788
C 1.636342 -0.150780 -0.215386
C -4.970779 1.375227 -0.443570
C -3.007903 2.742774 0.058631
C -4.386494 2.635675 -0.307089
C 2.379387 0.271451 -1.366298
C 2.333279 -0.321340 1.023151
C 3.753175 0.514165 -1.277040
C 3.712387 -0.073506 1.100013
C 4.444600 0.347699 -0.042172
C 5.890838 0.615297 -0.001836
H -0.462099 -0.153148 1.652473
H -0.244679 -1.846064 1.128024
H -0.163581 -0.308603 -1.240771
H -5.854843 -1.193637 -0.632085
H -1.179980 1.702027 0.545026
H -4.509160 -3.257183 -0.228467
H -6.027040 1.280566 -0.722703
H -2.553197 3.733916 0.164354
H -4.976822 3.542062 -0.478086
H 1.858358 0.405624 -2.322439
H 1.796023 -0.655826 1.915265
H 4.323438 0.837310 -2.154397
H 4.242576 -0.206993 2.047460
H -2.440874 -4.131279 0.347317
H 7.427014 0.612110 1.216390


