%chk=000244951.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000244951

0 1
P -0.788367 -0.391855 0.375082
O -1.118245 -1.105611 1.650226
N 0.831645 0.223890 0.276907
N -1.838760 1.010298 0.089163
N -1.023317 -1.378483 -1.073407
C 1.433759 0.496882 -1.075916
C 1.857674 -0.366008 1.201008
C -1.503543 2.323404 0.720927
C -2.647407 1.489527 1.254187
C -2.277785 -1.284304 -1.881260
C -2.018697 -2.492551 -1.007886
C 2.968605 0.423842 -0.857056
C 3.197124 0.174905 0.641183
C 0.983612 1.874839 -1.570256
C 1.861380 -1.896031 1.277155
H 1.139975 -0.276863 -1.833356
H 1.661245 0.051414 2.223588
H -1.706038 3.197064 0.091527
H -0.588484 2.466341 1.305068
H -2.581301 1.001899 2.235992
H -3.682818 1.756559 1.018098
H -2.124507 -1.344665 -2.964653
H -3.072232 -0.570614 -1.639337
H -2.614944 -2.680517 -0.107465
H -1.681632 -3.434878 -1.454325
H 3.471639 1.348077 -1.184229
H 3.398451 -0.394399 -1.459448
H 4.027563 -0.527312 0.813576
H 3.468379 1.114931 1.152738
H 1.155532 2.647582 -0.811419
H 1.526111 2.163520 -2.476027
H -0.086378 1.893096 -1.814383
H 0.951714 -2.280587 1.770016
H 1.924669 -2.362067 0.287679
H 2.707476 -2.261224 1.867505


%chk=000244951-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000244951

0 1
P -0.826157 -0.184542 0.244641
O -1.227966 -0.898988 1.635371
N 0.863411 0.019383 0.026188
N -1.591692 1.430382 -0.012089
N -1.353274 -0.993702 -1.265931
C 1.500903 0.473967 -1.254781
C 1.851235 -0.335750 1.099970
C -1.652826 2.337942 1.204194
C -2.915660 1.671118 0.696287
C -2.753122 -1.567812 -1.318286
C -1.556169 -2.494274 -1.200175
C 2.983935 0.075850 -1.025807
C 3.172819 0.220716 0.505495
C 1.316477 1.986258 -1.517861
C 1.909111 -1.853482 1.388164
H 1.053886 -0.089424 -2.094581
H 1.586056 0.188193 2.038162
H -1.457713 3.391372 0.982008
H -1.244018 1.962987 2.151375
H -3.317811 0.856447 1.312190
H -3.641044 2.239795 0.106986
H -3.256417 -1.435089 -2.280640
H -3.389960 -1.468493 -0.429959
H -1.402504 -2.987859 -0.231758
H -1.192222 -3.034713 -2.079042
H 3.671212 0.717258 -1.603658
H 3.150046 -0.972648 -1.333924
H 4.049828 -0.331852 0.883681
H 3.295062 1.285739 0.774913
H 1.809696 2.588465 -0.732149
H 1.759395 2.255943 -2.495466
H 0.243669 2.244208 -1.531507
H 0.917407 -2.213341 1.712209
H 2.221882 -2.415413 0.488747
H 2.634626 -2.058542 2.198237


