%chk=000245018.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000245018

0 1
O 1.817363 1.298172 -0.307784
O 5.131041 -0.293798 1.714250
N 0.414683 0.069057 1.038623
C -0.712449 -0.083405 0.060250
C -1.659536 -1.198117 0.538051
C -1.374475 1.300739 0.020786
C -0.233246 -0.583166 -1.309149
C 1.573462 0.828918 0.787855
C -1.200053 -2.259974 1.329712
C -0.881075 2.284007 -0.851131
C -0.991119 -0.300476 -2.456639
C -2.994572 -1.202485 0.100515
C -2.398465 1.635242 0.918687
C 0.902041 -1.398469 -1.421906
C 2.484350 0.953050 1.997072
C 3.802657 1.646877 1.639045
C -2.073008 -3.281562 1.718576
C -1.442469 3.562795 -0.863757
C -0.602404 -0.804238 -3.700254
C -3.863026 -2.225108 0.487015
C -2.958755 2.916016 0.904772
C 1.288937 -1.899432 -2.668482
C -3.407095 -3.264247 1.305033
C -2.488776 3.879905 0.008163
C 0.540167 -1.602738 -3.810635
C 4.710871 0.750787 0.796117
C 5.974206 -1.284223 1.103230
H 0.174269 -0.169582 1.999776
H -0.154934 -2.317938 1.632697
H -0.029605 2.053237 -1.503547
H -1.887642 0.315005 -2.385989
H -3.358634 -0.407736 -0.552506
H -2.765109 0.902734 1.637594
H 1.494331 -1.641066 -0.540704
H 1.971839 1.514485 2.802858
H 2.718844 -0.052950 2.414447
H 3.600555 2.584619 1.079739
H 4.331003 1.929680 2.572552
H -1.705795 -4.097374 2.339378
H -1.056140 4.314987 -1.549752
H -1.192476 -0.573405 -4.585183
H -4.897005 -2.215086 0.145258
H -3.760572 3.162528 1.598046
H 2.177500 -2.522686 -2.747343
H -4.085541 -4.058922 1.608741
H -2.928606 4.874965 -0.005018
H 0.843662 -1.991382 -4.780022
H 5.603001 1.290121 0.436259
H 4.176163 0.299024 -0.058872
H 6.181562 -1.971418 1.932375
H 5.444063 -1.799317 0.296778
H 6.900514 -0.830650 0.738521


%chk=000245018-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000245018

0 1
O 1.727996 1.849913 -0.260389
O 4.426667 -0.737508 1.769890
N 0.510725 0.284388 0.975278
C -0.608153 0.062091 0.008222
C -1.454924 -1.130962 0.545377
C -1.411042 1.393508 -0.059207
C -0.076546 -0.428225 -1.369531
C 1.538450 1.203091 0.813795
C -0.828605 -2.213026 1.217382
C -1.161194 2.360476 -1.063715
C -0.924633 -0.404087 -2.504924
C -2.842005 -1.226516 0.267580
C -2.298298 1.731032 0.997142
C 1.196033 -1.034319 -1.489227
C 2.436690 1.371276 2.047937
C 3.907823 1.636826 1.661014
C -1.573628 -3.338711 1.633774
C -1.812975 3.613454 -1.035487
C -0.500391 -0.949236 -3.735582
C -3.586460 -2.354088 0.674736
C -2.946575 2.983716 1.030381
C 1.623197 -1.580797 -2.718263
C -2.958964 -3.414271 1.367950
C -2.712151 3.930932 0.006733
C 0.778687 -1.539731 -3.850653
C 4.551332 0.459132 0.921114
C 5.002919 -1.919992 1.139031
H 0.390560 -0.123446 1.905011
H 0.253965 -2.202174 1.389828
H -0.435086 2.144669 -1.851104
H -1.924185 0.038234 -2.431560
H -3.346493 -0.414006 -0.264597
H -2.486605 1.011275 1.802067
H 1.857506 -1.074538 -0.617555
H 2.052025 2.233634 2.628332
H 2.385026 0.478370 2.697223
H 3.954283 2.522743 1.001383
H 4.488816 1.856209 2.575899
H -1.067836 -4.160538 2.153011
H -1.601948 4.347423 -1.821227
H -1.170448 -0.915821 -4.602186
H -4.657761 -2.403577 0.449719
H -3.630954 3.220143 1.853136
H 2.617140 -2.037049 -2.792863
H -3.537702 -4.288234 1.686518
H -3.214591 4.904681 0.028242
H 1.110224 -1.962658 -4.805588
H 5.625560 0.668621 0.721231
H 4.043821 0.287990 -0.053709
H 4.859741 -2.754453 1.844259
H 4.496652 -2.159391 0.177625
H 6.088816 -1.790472 0.940643


