%chk=000287245.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000287245

0 1
O 6.471045 -1.386913 -1.202744
O -0.951764 2.079361 1.981772
O -4.353921 0.808665 -2.512238
N 4.470210 0.580265 -0.654222
N 0.147867 1.826598 -0.005944
N -4.113656 -0.748312 -0.856878
C 3.141577 1.252287 -0.841059
C 4.301601 -0.842005 -0.206941
C 5.265840 0.619279 -1.926640
C 2.581174 1.632085 0.539665
C 5.693456 -1.456646 0.010032
C 6.634368 -0.031872 -1.668018
C 1.359584 2.553603 0.446725
C -2.054106 0.810412 0.249568
C -2.448575 -0.418688 0.901116
C -0.928792 1.624446 0.851079
C -3.488977 -1.199003 0.321418
C -2.672681 1.240096 -0.872957
C -3.758341 0.484782 -1.499854
C -1.851872 -0.861967 2.109220
C -3.876649 -2.419822 0.942768
C -5.207457 -1.544093 -1.469731
C -2.243452 -2.045781 2.702766
C -3.258865 -2.827962 2.108992
H 2.412895 0.628510 -1.399991
H 3.295490 2.176424 -1.441547
H 3.727665 -1.458954 -0.931466
H 3.736594 -0.844518 0.749514
H 5.407761 1.681423 -2.219161
H 4.759808 0.104976 -2.771536
H 3.377258 2.139899 1.127135
H 2.332835 0.722573 1.121173
H 6.244487 -0.946746 0.820011
H 5.646475 -2.542896 0.199978
H 7.214851 -0.167692 -2.596969
H 7.222442 0.535069 -0.924626
H 1.546749 3.399307 -0.252441
H 1.153743 3.008344 1.449186
H 0.188101 1.393971 -0.922287
H -2.421585 2.176244 -1.377350
H -1.083533 -0.239241 2.580113
H -4.662489 -3.032379 0.506402
H -6.057656 -1.649151 -0.775948
H -4.848876 -2.540644 -1.773805
H -5.580964 -1.027681 -2.380998
H -1.782603 -2.378966 3.630768
H -3.557464 -3.763086 2.586351


%chk=000287245-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000287245

0 1
O 6.426279 -1.479864 -1.137146
O -0.598268 1.599707 2.151819
O -4.165893 0.916373 -2.561074
N 4.476080 0.636857 -0.700890
N 0.185651 1.882641 -0.022280
N -4.099872 -0.716373 -0.862982
C 3.171490 1.331318 -0.823032
C 4.380137 -0.664083 0.013762
C 5.130130 0.441985 -2.023081
C 2.656688 1.886031 0.520810
C 5.777731 -1.284537 0.170077
C 6.519786 -0.187087 -1.835431
C 1.347404 2.697855 0.380578
C -1.887878 0.631588 0.299143
C -2.403262 -0.578341 0.928262
C -0.725198 1.397627 0.902593
C -3.523062 -1.242437 0.309292
C -2.489941 1.120172 -0.844438
C -3.624911 0.471771 -1.497327
C -1.841142 -1.135463 2.114307
C -4.034675 -2.437090 0.892245
C -5.252589 -1.390695 -1.495096
C -2.355133 -2.313493 2.675730
C -3.455458 -2.962880 2.058782
H 2.394791 0.660739 -1.279803
H 3.314443 2.180280 -1.521736
H 3.719432 -1.380414 -0.538742
H 3.946300 -0.504924 1.017253
H 5.235973 1.426158 -2.518238
H 4.520252 -0.218115 -2.691217
H 3.438114 2.542920 0.947970
H 2.480595 1.073520 1.249198
H 6.406811 -0.623999 0.805044
H 5.718211 -2.288193 0.622389
H 6.991408 -0.409024 -2.807004
H 7.165612 0.506610 -1.254923
H 1.476691 3.512907 -0.358022
H 1.091330 3.150089 1.353765
H 0.083084 1.610111 -1.001236
H -2.168769 2.053534 -1.315628
H -1.017052 -0.604372 2.596890
H -4.882044 -2.954977 0.437337
H -6.109460 -1.434587 -0.799945
H -4.983914 -2.414130 -1.811686
H -5.527899 -0.795980 -2.378896
H -1.914901 -2.723974 3.589751
H -3.863504 -3.882157 2.493254


