%chk=000218056.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000218056

0 1
O -5.135447 0.432896 -1.163235
N -1.046739 -0.148556 -0.407491
C 0.361375 -0.366977 0.093580
C -1.632996 1.131559 0.118883
C -1.950561 -1.289967 -0.033817
C 0.938814 -1.667139 -0.507925
C 1.257491 0.806666 -0.364940
C -3.963120 0.227112 -0.337166
C -2.981337 1.396660 -0.564588
C -3.308631 -1.116084 -0.725914
C 2.327082 -1.947522 0.074868
C 2.716794 0.557631 -0.107635
C 3.227101 -0.742099 0.072377
C 3.593917 1.654019 -0.077268
C 4.603622 -0.922839 0.280960
C -4.491925 0.208808 1.021621
C 4.961103 1.464548 0.130501
C 5.467345 0.173264 0.309700
C -4.931918 0.194309 2.142367
H 0.391159 -0.433104 1.211839
H -0.939275 1.968657 -0.116694
H -1.763040 1.121658 1.223675
H -2.093655 -1.382389 1.065433
H -1.484528 -2.240974 -0.380067
H 0.994662 -1.569943 -1.610915
H 0.268696 -2.528085 -0.317892
H 0.935531 1.746666 0.127541
H 1.109183 0.974833 -1.456101
H -3.422035 2.341007 -0.193532
H -2.825374 1.535872 -1.652587
H -3.173540 -1.152199 -1.824959
H -3.981970 -1.955752 -0.470719
H 2.799842 -2.776180 -0.492193
H 2.231463 -2.315831 1.119090
H 3.206755 2.661339 -0.218735
H 5.002828 -1.925659 0.420988
H -4.892045 0.462102 -2.108232
H 5.631745 2.320911 0.152219
H 6.532606 0.022641 0.470890
H -5.312176 0.182439 3.102871


%chk=000218056-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000218056

0 1
O -5.313891 0.329473 -1.083199
N -1.074645 -0.209678 -0.459217
C 0.335845 -0.425898 0.004733
C -1.645245 1.127389 -0.134129
C -1.983559 -1.276910 0.047076
C 0.982724 -1.620862 -0.739899
C 1.227300 0.814654 -0.232704
C -4.033932 0.205059 -0.335515
C -3.032587 1.303831 -0.785149
C -3.381155 -1.179822 -0.595887
C 2.346888 -1.978263 -0.114746
C 2.713913 0.552645 0.008417
C 3.253408 -0.762767 0.044414
C 3.584636 1.658699 0.184802
C 4.645907 -0.934696 0.250218
C -4.394817 0.364573 1.089458
C 4.968705 1.480013 0.387921
C 5.504787 0.170900 0.421186
C -4.664172 0.495099 2.284174
H 0.347364 -0.653827 1.104538
H -0.981643 1.913217 -0.528343
H -1.733914 1.284137 0.971330
H -2.085926 -1.222397 1.161242
H -1.554368 -2.264318 -0.190686
H 1.104046 -1.337814 -1.803397
H 0.329321 -2.510849 -0.713745
H 0.914875 1.654258 0.415035
H 1.078146 1.146074 -1.282335
H -3.442648 2.300816 -0.545021
H -2.914581 1.228400 -1.884951
H -3.278016 -1.310803 -1.691568
H -4.037412 -1.979317 -0.208621
H 2.855384 -2.747285 -0.727255
H 2.180289 -2.439684 0.881705
H 3.167114 2.673688 0.161548
H 5.058037 -1.951808 0.274190
H -5.102538 0.231843 -2.048687
H 5.622607 2.349223 0.520388
H 6.578399 0.016434 0.577124
H -4.915840 0.610869 3.322351


