%chk=000200923.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000200923

0 1
P -2.026140 -0.237404 -0.189650
O -3.307556 -0.903982 -0.596876
O 1.692941 1.963078 1.137362
N -1.940994 -0.007819 1.550716
N -1.863278 1.352157 -0.921491
N -0.788004 -1.389947 -0.784056
N 1.641078 -1.669808 -0.861709
N 0.451248 0.234803 0.147589
C -1.318626 -1.047956 2.424587
C -2.823643 -0.901518 2.367621
C -1.171682 1.515878 -2.235951
C -2.681092 1.585850 -2.155060
C 0.502727 -0.986419 -0.521918
C 2.829330 -1.076963 -0.498224
C 1.651190 0.782796 0.486983
C 2.878165 0.149524 0.177660
C 4.071692 -1.812426 -0.863199
C 0.407001 2.601093 1.447889
H -0.755722 -0.644055 3.275171
H -0.823994 -1.936908 2.024121
H -3.455712 -1.672367 1.907602
H -3.362032 -0.392748 3.176079
H -0.673105 0.688584 -2.748064
H -0.579488 2.435309 -2.322251
H -3.193401 2.554879 -2.183828
H -3.313681 0.801189 -2.590372
H -1.003484 -2.266776 -1.273868
H 3.815792 0.612716 0.462015
H 3.856461 -2.756772 -1.392945
H 4.714222 -1.208861 -1.521845
H 4.661416 -2.067714 0.030150
H -0.140500 2.809147 0.520226
H 0.736444 3.509716 1.958331
H -0.190176 1.944024 2.092305


%chk=000200923-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000200923

0 1
P -1.959643 -0.713103 -0.271740
O -3.052441 -1.709552 -0.903310
O 2.185372 2.225708 1.089155
N -1.910338 -0.601829 1.505983
N -2.140207 1.007454 -0.736093
N -0.359778 -1.295664 -0.721149
N 1.974372 -1.477491 -0.779871
N 0.888083 0.494400 0.162500
C -2.591300 -1.724843 2.272043
C -3.226407 -0.347200 2.216187
C -1.504404 1.497331 -2.020296
C -3.003007 1.276714 -1.964127
C 0.883697 -0.736136 -0.430655
C 3.203494 -0.925279 -0.488265
C 2.106057 1.001675 0.458794
C 3.318607 0.327778 0.149709
C 4.409114 -1.743418 -0.883196
C 0.894337 2.871942 1.435272
H -2.045660 -2.042253 3.165086
H -3.074127 -2.518747 1.688094
H -4.135088 -0.241191 1.610675
H -3.142094 0.336685 3.065606
H -0.902976 0.789861 -2.604476
H -1.092799 2.508539 -1.950000
H -3.676891 2.130438 -1.844423
H -3.421189 0.407275 -2.485779
H -0.333645 -2.204568 -1.192640
H 4.283309 0.770306 0.400242
H 4.372559 -2.733432 -0.394600
H 4.404574 -1.924533 -1.973070
H 5.350708 -1.241580 -0.607241
H 0.338562 3.135093 0.519722
H 1.185307 3.769478 1.999756
H 0.271241 2.190437 2.037204


