%chk=000250567.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000250567

0 1
S 0.723045 1.575422 -0.322077
O 1.090562 2.913624 0.103386
O 0.119649 1.407006 -1.629913
N -0.401127 1.021060 0.894005
N -3.233010 0.730579 0.192454
C -1.422372 2.040700 1.262983
C -2.561788 2.068880 0.229055
C -1.002562 -0.273969 0.665463
C -2.362687 -0.401590 0.247016
C -0.233499 -1.415667 0.924404
C 2.073706 0.511237 -0.164421
C -4.286225 0.684821 -0.861205
C -2.876512 -1.697775 0.037600
C -0.769243 -2.688340 0.714985
C -2.085203 -2.823103 0.265821
C 2.271797 -0.504148 -1.106431
C 2.977872 0.683545 0.888477
C 3.372385 -1.357619 -0.988476
C 4.078276 -0.170806 1.007379
C 4.273407 -1.190518 0.069225
H -0.940694 3.042071 1.357790
H -1.818156 1.780380 2.273408
H -3.328049 2.818476 0.525938
H -2.175692 2.374302 -0.771729
H 0.786111 -1.311520 1.297225
H -4.954286 1.553991 -0.747812
H -4.905639 -0.218774 -0.725673
H -3.884486 0.681961 -1.887723
H -3.906689 -1.825523 -0.291580
H -0.163252 -3.569651 0.908359
H -2.502539 -3.815192 0.097692
H 1.567133 -0.628176 -1.938023
H 2.831162 1.488915 1.616155
H 3.528382 -2.148942 -1.720325
H 4.783617 -0.039130 1.826643
H 5.132706 -1.856329 0.161321


%chk=000250567-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000250567

0 1
S 0.853807 1.263845 -0.535348
O 1.027699 2.888376 -0.260703
O 0.401749 0.722329 -2.027530
N -0.607164 0.529949 1.113046
N -3.335492 0.786731 0.132104
C -1.383103 1.786835 1.277699
C -2.478023 1.993013 0.212231
C -1.329752 -0.548811 0.619952
C -2.718109 -0.452088 0.175211
C -0.692419 -1.831851 0.629312
C 2.532343 0.471244 -0.176621
C -4.722414 0.932882 -0.326004
C -3.404078 -1.656383 -0.174914
C -1.377173 -2.990242 0.255087
C -2.744239 -2.893353 -0.140782
C 2.860972 -0.705357 -0.871524
C 3.380230 1.085677 0.760144
C 4.116413 -1.299578 -0.603592
C 4.631076 0.476364 1.014865
C 4.994156 -0.713176 0.338961
H -0.673433 2.635886 1.236769
H -1.820104 1.752044 2.296648
H -3.108161 2.858677 0.482711
H -2.009135 2.202486 -0.771794
H 0.348024 -1.867616 0.970662
H -5.045651 1.973000 -0.160585
H -5.398160 0.270114 0.244756
H -4.834863 0.702078 -1.405616
H -4.443743 -1.616336 -0.511540
H -0.876424 -3.963036 0.273994
H -3.290077 -3.797432 -0.433679
H 2.167718 -1.116056 -1.613295
H 3.081180 2.018185 1.249151
H 4.407695 -2.212708 -1.133632
H 5.319343 0.932649 1.734355
H 5.965410 -1.178145 0.540896


