%chk=000294684.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000294684

0 1
O 4.330092 -0.709193 0.114788
O -0.082602 -1.223327 -1.062365
O -0.932518 2.719255 -0.206304
O -4.839850 -0.708606 0.483120
O -4.290430 -0.813134 -1.710225
N 2.967134 1.141160 0.244578
N 2.103998 -0.996678 -0.480936
N 1.555778 3.061871 0.382600
C 1.699809 1.731742 0.101709
C 0.606581 0.942736 -0.328973
C 3.211228 -0.263841 -0.039733
C 0.766901 -0.456316 -0.656243
C 4.141215 1.932533 0.696781
C 2.345287 -2.435522 -0.785720
C -0.722173 1.531969 -0.447606
C -1.852458 0.661045 -0.892828
C -2.916627 0.434582 -0.121378
C -4.033854 -0.412722 -0.599715
C -5.998359 -1.542679 0.217792
H 4.372760 2.744963 -0.011361
H 5.040681 1.275238 0.740850
H 3.987024 2.331899 1.712518
H 1.401725 -2.906247 -1.127757
H 2.701116 -2.966892 0.113130
H 3.102223 -2.540925 -1.581243
H 0.611719 3.501149 0.280710
H 2.307992 3.646872 0.703053
H -1.743740 0.222832 -1.897233
H -3.035226 0.842608 0.887173
H -5.669557 -2.516467 -0.159037
H -6.649745 -1.046992 -0.508954
H -6.466925 -1.620913 1.204110


%chk=000294684-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000294684

0 1
O 4.756429 -0.291449 -0.487477
O 0.348583 -1.758123 -0.804366
O -1.044122 2.099319 0.567988
O -5.460726 0.061154 -0.023331
O -4.170503 -1.777456 -0.671385
N 3.059909 1.213970 0.106337
N 2.535976 -0.995846 -0.637793
N 1.370440 2.748358 0.703086
C 1.708505 1.510938 0.262734
C 0.692550 0.534909 -0.034340
C 3.523503 -0.056902 -0.354336
C 1.110459 -0.790646 -0.505940
C 4.092701 2.224882 0.415515
C 3.015355 -2.316316 -1.114172
C -0.716234 0.908729 0.145612
C -1.819475 -0.049281 -0.148265
C -3.118355 0.335300 0.014041
C -4.240383 -0.589871 -0.270567
C -6.672578 -0.752800 -0.269620
H 3.982676 3.112668 -0.233523
H 5.068602 1.759076 0.216894
H 4.048186 2.521293 1.479266
H 2.127696 -2.940222 -1.286306
H 3.670849 -2.774195 -0.355774
H 3.590525 -2.193803 -2.046221
H 0.319488 2.876418 0.787038
H 2.063532 3.461158 0.918994
H -1.562522 -1.054092 -0.494267
H -3.368003 1.343784 0.359743
H -6.671328 -1.646534 0.377425
H -6.709379 -1.074597 -1.324375
H -7.513156 -0.087826 -0.027312


