%chk=000202508.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000202508

0 1
O -0.756046 -0.224119 0.023338
O -1.874494 1.316323 1.317088
N -2.963110 0.122607 -0.378219
C -4.951402 -1.121243 0.292927
C -4.058734 -2.046770 -0.557523
C -4.325825 0.285370 0.225458
C -2.935657 -1.166255 -1.139478
C -1.872536 0.474489 0.445344
C 0.597717 0.096215 0.522957
C 0.994237 1.448883 -0.049258
C 1.429193 -1.068816 -0.017927
C 0.637759 2.625912 0.626579
C 2.791388 -1.136178 0.313488
C 1.686547 1.532510 -1.265717
C 0.855244 -2.058919 -0.824155
C 0.601850 0.057124 1.978616
C 0.995574 3.871138 0.104219
C 3.571670 -2.190964 -0.164346
C 2.042234 2.780141 -1.785894
C 1.641570 -3.112976 -1.299727
C 1.701913 3.950246 -1.100093
C 2.998445 -3.180334 -0.971519
C 0.611031 0.004854 3.181868
H -5.987708 -1.109119 -0.084277
H -5.004109 -1.479703 1.335765
H -3.640957 -2.860407 0.060817
H -4.636898 -2.531884 -1.361375
H -4.900465 0.956431 -0.449330
H -4.274961 0.781534 1.217495
H -1.936858 -1.657435 -1.087908
H -3.126201 -0.916121 -2.205825
H 0.054415 2.566634 1.552601
H 3.238123 -0.365435 0.942068
H 1.948348 0.626888 -1.814547
H -0.210092 -2.005543 -1.078002
H 0.715936 4.779892 0.634453
H 4.628323 -2.243247 0.093104
H 2.582154 2.838888 -2.728891
H 1.193972 -3.882203 -1.926399
H 1.980928 4.920972 -1.505973
H 3.609391 -4.001483 -1.342002
H 0.612690 -0.033397 4.215102


%chk=000202508-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000202508

0 1
O -0.707355 -0.521427 0.185857
O -1.787746 1.209433 1.412161
N -2.977468 -0.307684 0.087101
C -5.287585 -0.798463 -0.162211
C -4.504967 -1.411537 -1.354292
C -4.312289 0.259562 0.408031
C -3.045643 -1.464446 -0.841075
C -1.838106 0.223765 0.633080
C 0.658013 -0.038104 0.623443
C 0.914311 1.351396 0.009510
C 1.630443 -1.110482 0.066472
C 1.103601 2.504508 0.802863
C 2.998772 -0.784789 -0.100267
C 0.942109 1.465666 -1.403650
C 1.195018 -2.430714 -0.197366
C 0.755727 -0.068510 2.098763
C 1.331074 3.758253 0.192382
C 3.917747 -1.763469 -0.536178
C 1.158701 2.718483 -2.013498
C 2.115360 -3.407803 -0.639827
C 1.359286 3.870384 -1.215908
C 3.479650 -3.079915 -0.809961
C 0.899171 -0.165387 3.317189
H -6.250674 -0.354144 -0.464141
H -5.490918 -1.574788 0.598273
H -4.878484 -2.406880 -1.648243
H -4.572350 -0.745716 -2.234329
H -4.437885 1.244429 -0.082910
H -4.413649 0.413540 1.496012
H -2.840811 -2.409286 -0.298863
H -2.295490 -1.366947 -1.643555
H 1.052945 2.420597 1.892621
H 3.343953 0.234349 0.105089
H 0.795077 0.571169 -2.019528
H 0.139769 -2.681618 -0.063310
H 1.474470 4.647517 0.816205
H 4.973180 -1.497719 -0.662903
H 1.176099 2.797622 -3.106330
H 1.766381 -4.425842 -0.847347
H 1.532119 4.844095 -1.688371
H 4.192517 -3.839397 -1.150379
H 1.000528 -0.235201 4.384292


