%chk=000117218.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000117218

0 1
O -0.783534 -0.639104 -0.444563
O 2.008795 1.244107 -0.379417
O -1.160363 1.479856 -1.259342
O 0.860420 2.463475 1.189084
N -2.363016 0.610090 0.546006
N 1.485844 3.391181 -0.866409
C 1.605415 -1.130566 -0.466127
C 1.305435 -2.394396 0.404019
C 0.368392 -0.789885 -1.332742
C 1.916252 0.057380 0.474497
C 1.102519 -3.649292 -0.473868
C 2.791134 -1.339795 -1.418425
C 2.396282 -2.648508 1.449774
C 0.344003 -4.751378 0.262387
C -1.424418 0.593270 -0.466609
C 1.362505 2.379022 0.087667
C -3.279392 1.763822 0.704330
C -4.683533 1.407967 0.295764
C -5.759247 1.903519 0.901694
H 0.341791 -2.188811 0.941159
H 0.072044 -1.626672 -1.990411
H 0.521439 0.134524 -1.922651
H 1.131512 0.205578 1.240377
H 2.907368 -0.019262 0.950650
H 0.543321 -3.380235 -1.393410
H 2.082779 -4.033223 -0.815779
H 3.667895 -1.720703 -0.881111
H 3.087578 -0.390810 -1.887459
H 2.567149 -2.052252 -2.217883
H 3.395815 -2.674810 1.001768
H 2.241644 -3.615399 1.946018
H 2.399327 -1.888679 2.237853
H -0.659438 -4.422572 0.557194
H 0.226127 -5.638987 -0.369240
H 0.866616 -5.064527 1.173863
H -2.520049 -0.211739 1.121467
H 0.806954 4.142915 -0.809376
H 1.722476 3.121600 -1.813723
H -2.914824 2.620888 0.079352
H -3.224755 2.103997 1.766011
H -4.759132 0.727072 -0.555024
H -6.769410 1.670966 0.592857
H -5.724021 2.579375 1.744574


%chk=000117218-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000117218

0 1
O -0.806526 -0.591644 -0.488768
O 1.983999 1.276839 -0.288642
O -1.281703 1.396162 -1.686636
O 0.460151 2.353897 1.168588
N -2.534757 0.717894 0.182247
N 1.451771 3.452789 -0.652049
C 1.606967 -1.173726 -0.470219
C 1.334964 -2.467112 0.399888
C 0.374865 -0.844036 -1.350694
C 1.865703 0.016857 0.488999
C 1.252705 -3.761537 -0.462783
C 2.818974 -1.347604 -1.424726
C 2.361855 -2.658247 1.547169
C 0.515587 -4.923300 0.241426
C -1.529140 0.597249 -0.744884
C 1.217555 2.371946 0.164916
C -3.384466 1.917096 0.259272
C -4.852026 1.558384 0.374402
C -5.671501 2.002009 1.359821
H 0.336776 -2.315350 0.861955
H 0.114999 -1.691010 -2.008973
H 0.557624 0.052525 -1.967638
H 1.048243 0.133802 1.222481
H 2.826812 -0.105943 1.015388
H 0.728147 -3.552407 -1.415047
H 2.277159 -4.085528 -0.736100
H 3.713452 -1.688446 -0.872524
H 3.066711 -0.385473 -1.906904
H 2.612533 -2.087492 -2.218930
H 3.400888 -2.675579 1.166396
H 2.184983 -3.618546 2.063538
H 2.290499 -1.866041 2.312959
H -0.524401 -4.637060 0.486779
H 0.475720 -5.817765 -0.407285
H 1.013550 -5.220141 1.182423
H -2.573878 0.027924 0.933319
H 0.902899 4.294970 -0.506109
H 2.011025 3.343133 -1.494321
H -3.193084 2.486546 -0.669493
H -3.073869 2.555086 1.109972
H -5.241672 0.900280 -0.415961
H -6.733321 1.734128 1.388988
H -5.303068 2.653470 2.162557


