%chk=000215318.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000215318

0 1
O -3.624217 1.979766 0.430865
O 2.152006 -2.566480 0.398390
N -2.741063 -0.464927 -0.857373
N 0.807291 -0.736151 -0.000776
N -0.408011 -0.194979 -0.270305
C -3.749441 -0.452008 0.250038
C -2.700786 0.861525 -1.546963
C -3.580447 0.754452 1.187033
C -2.599636 2.053900 -0.583962
C -1.462201 -0.990873 -0.438920
C -1.372133 -2.439974 -0.297465
C -0.170734 -2.980115 -0.003692
C 1.034200 -2.157588 0.159115
C 1.879785 0.246298 0.133728
C 3.161562 -0.067640 -0.347637
C 1.620968 1.485583 0.744264
C 4.185487 0.872297 -0.211569
C 2.657933 2.413195 0.863851
C 3.938184 2.111098 0.388596
H -3.707528 -1.402983 0.818089
H -4.750332 -0.412751 -0.240948
H -3.644322 0.925314 -2.137551
H -1.860537 0.877742 -2.274460
H -4.433608 0.874311 1.878302
H -2.634592 0.712054 1.754857
H -1.611148 2.110356 -0.093232
H -2.832571 3.013652 -1.078097
H -2.271495 -3.040024 -0.450162
H -0.012710 -4.054428 0.119665
H 3.365231 -1.040989 -0.800350
H 0.625000 1.723939 1.116458
H 5.184225 0.633008 -0.576746
H 2.465554 3.376908 1.334384
H 4.741987 2.838114 0.488474


%chk=000215318-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000215318

0 1
O -4.213691 1.777256 0.641265
O 2.209267 -2.724667 0.429288
N -2.568233 -0.186879 -0.707000
N 0.963373 -0.736623 -0.043708
N -0.265379 -0.105692 -0.268244
C -3.884459 -0.563229 -0.135885
C -2.524961 1.244183 -1.093871
C -4.234798 0.365122 1.052596
C -2.883791 2.142323 0.107715
C -1.385291 -0.845921 -0.339071
C -1.368805 -2.281798 -0.133138
C -0.164914 -2.886318 0.128943
C 1.098603 -2.147639 0.193454
C 2.080517 0.194473 -0.016467
C 3.431691 -0.248528 -0.016266
C 1.803643 1.589195 0.001438
C 4.475902 0.702535 -0.001694
C 2.858706 2.521787 0.019740
C 4.204853 2.087814 0.017027
H -3.887436 -1.614608 0.194881
H -4.652212 -0.447171 -0.924441
H -3.274294 1.396374 -1.894521
H -1.521632 1.484915 -1.478354
H -5.260983 0.179557 1.411596
H -3.515781 0.200130 1.885137
H -2.116518 2.042862 0.903894
H -2.972784 3.199445 -0.191379
H -2.284355 -2.872502 -0.227161
H -0.074370 -3.965277 0.280292
H 3.653507 -1.314899 -0.010089
H 0.765007 1.921915 0.001109
H 5.511830 0.345648 -0.002681
H 2.626049 3.592504 0.039094
H 5.023640 2.815315 0.032402


