%chk=000215829.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000215829

0 1
O -0.102598 -1.003065 -1.702994
O 1.748916 3.253789 -0.170511
O 5.704479 -0.867895 0.818881
N -0.448621 0.747137 -0.304656
C -2.706709 -1.157366 0.772458
C -4.909567 -0.926137 0.270817
C -2.825914 0.355843 0.401236
C -4.331312 0.497867 -0.020759
C -4.067190 -1.385193 1.495067
C -2.880755 -2.033435 -0.497676
C -4.386159 -1.879437 -0.841519
C -1.878541 0.826977 -0.711226
C -5.057521 1.592722 0.754000
C 0.016836 1.729948 0.694123
C 0.369874 -0.239715 -0.871131
C 0.343692 3.097032 0.060581
C 1.786781 -0.324997 -0.409282
C 2.179912 -1.442032 0.351974
C 2.727982 0.635129 -0.794250
C 3.501331 -1.585709 0.751349
C 4.066068 0.507990 -0.409874
C 4.437336 -0.603423 0.357534
C 6.771776 0.032141 0.431552
H -1.807044 -1.392618 1.350285
H -5.995497 -0.947361 0.404406
H -2.631665 0.955814 1.317984
H -4.413126 0.717790 -1.107511
H -4.210181 -0.770613 2.389639
H -4.241968 -2.428428 1.781917
H -2.615132 -3.080766 -0.295064
H -2.219573 -1.703328 -1.320980
H -4.540008 -1.469781 -1.849167
H -4.907696 -2.847105 -0.810498
H -2.017129 0.194189 -1.627150
H -2.119561 1.871593 -1.001718
H -4.593360 2.571455 0.593832
H -6.104597 1.671024 0.438711
H -5.059732 1.399394 1.832750
H -0.771635 1.853855 1.473524
H 0.915103 1.337244 1.225411
H -0.006465 3.930636 0.694429
H -0.078216 3.207962 -0.958340
H 1.440650 -2.199052 0.622400
H 2.414872 1.503360 -1.387335
H 2.251473 3.175846 0.664789
H 3.833584 -2.436434 1.341629
H 4.788072 1.255659 -0.719025
H 6.881786 0.045597 -0.656843
H 6.591483 1.031279 0.837222
H 7.642965 -0.436282 0.908512


%chk=000215829-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000215829

0 1
O 0.013298 -1.339259 -1.508185
O 1.076043 3.402679 0.000525
O 6.087464 -0.857037 0.377294
N -0.351536 0.548371 -0.177418
C -2.921556 -0.968471 0.996620
C -5.018423 -0.737461 0.124772
C -2.867062 0.431286 0.302390
C -4.296333 0.561331 -0.366862
C -4.385161 -0.955961 1.532101
C -2.991642 -2.111312 -0.060841
C -4.437230 -1.949716 -0.663840
C -1.732176 0.680200 -0.714516
C -5.027070 1.863934 0.018515
C -0.009885 1.348228 1.013832
C 0.466659 -0.456943 -0.704158
C -0.026588 2.880795 0.819880
C 1.927678 -0.474733 -0.334110
C 2.513713 -1.696680 0.093445
C 2.768371 0.641244 -0.562858
C 3.893694 -1.786171 0.336758
C 4.163112 0.559210 -0.347875
C 4.724713 -0.656486 0.117234
C 6.999560 0.261463 0.124190
H -2.131057 -1.117575 1.753059
H -6.119166 -0.663912 0.089039
H -2.807605 1.198681 1.104609
H -4.198250 0.528935 -1.471725
H -4.588908 -0.134330 2.243503
H -4.684239 -1.913211 1.995984
H -2.882447 -3.089576 0.443143
H -2.188966 -2.043747 -0.813855
H -4.421188 -1.759579 -1.752756
H -5.045716 -2.857250 -0.494474
H -1.804531 -0.036207 -1.548670
H -1.850750 1.698108 -1.139290
H -4.428193 2.755424 -0.251061
H -6.000898 1.946132 -0.499621
H -5.219665 1.907641 1.107463
H -0.741151 1.115675 1.816663
H 0.978669 1.029066 1.385283
H -0.025125 3.354527 1.825571
H -0.938549 3.203960 0.292725
H 1.875629 -2.577707 0.217489
H 2.329450 1.567128 -0.952199
H 1.928463 3.250312 0.482361
H 4.355532 -2.717768 0.677057
H 4.793051 1.428019 -0.562410
H 6.981932 0.561300 -0.941570
H 6.753582 1.134407 0.760053
H 7.997951 -0.117863 0.386238


