%chk=000200321.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000200321

0 1
O 4.187679 1.356557 -0.568880
N -2.987447 1.195553 -0.531789
C -1.181405 -0.300330 0.321524
C -1.785509 0.518027 1.506676
C -2.155326 -0.003677 -0.865803
C -1.198832 -1.813725 0.647406
C -3.061502 1.193760 0.966488
C 0.253090 0.146997 0.073954
C -0.604716 -2.679461 -0.471869
C -2.383698 2.457017 -1.054181
C 1.187413 0.046265 1.120211
C 0.682972 0.648087 -1.165960
C -0.662809 -4.165042 -0.123156
C 2.515448 0.440213 0.949332
C 2.000834 1.050497 -1.370010
C 2.903031 0.940688 -0.301145
H -1.073177 1.279984 1.866180
H -2.011102 -0.121269 2.373241
H -1.633144 0.111825 -1.833814
H -2.868562 -0.846669 -0.999369
H -2.240377 -2.130430 0.852271
H -0.643888 -1.999673 1.586844
H -3.966208 0.609244 1.239159
H -3.201003 2.209602 1.376288
H 0.446199 -2.379391 -0.660302
H -1.143231 -2.498520 -1.422082
H -2.364116 2.414049 -2.154284
H -1.365313 2.666012 -0.693697
H -3.031867 3.303334 -0.777284
H 0.875810 -0.348537 2.088162
H -0.027621 0.724512 -1.995325
H -0.100330 -4.388607 0.790279
H -1.692755 -4.504615 0.034015
H -0.235921 -4.775578 -0.927041
H 3.225001 0.357519 1.765162
H 2.340110 1.440646 -2.326458
H 4.780574 1.254537 0.213655


%chk=000200321-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000200321

0 1
O 4.441708 1.193850 -0.578917
N -3.051455 1.204047 -0.468872
C -1.128926 -0.223765 0.271083
C -1.780176 0.544658 1.485342
C -2.129811 0.125014 -0.920527
C -1.171890 -1.765174 0.568415
C -3.205531 0.922765 0.985846
C 0.333603 0.200116 0.031778
C -0.682946 -2.690366 -0.568485
C -2.551995 2.572517 -0.755314
C 1.184538 0.463868 1.138709
C 0.923584 0.259760 -1.260688
C -0.810062 -4.183427 -0.194006
C 2.546321 0.796520 0.974016
C 2.281081 0.591705 -1.448199
C 3.095244 0.864734 -0.327921
H -1.212260 1.464523 1.712718
H -1.806367 -0.073159 2.401540
H -1.625922 0.433843 -1.849821
H -2.737905 -0.772200 -1.147807
H -2.219043 -2.032198 0.826820
H -0.560953 -1.964964 1.472872
H -3.897308 0.065746 1.106929
H -3.641244 1.789849 1.510956
H 0.372168 -2.456650 -0.806357
H -1.264534 -2.494537 -1.491838
H -2.480807 2.709412 -1.848763
H -1.553501 2.807357 -0.315191
H -3.281194 3.308353 -0.371692
H 0.780848 0.409286 2.155943
H 0.323198 0.041264 -2.150105
H -0.217712 -4.416036 0.711372
H -1.862310 -4.454559 0.015771
H -0.448680 -4.836238 -1.009734
H 3.172454 1.000145 1.853146
H 2.721977 0.639743 -2.448472
H 4.924111 1.363597 0.267854


