%chk=000245528.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000245528

0 1
O 0.042521 -2.967921 -0.000206
O 4.889240 2.442392 -0.000398
O -5.462496 1.377309 -1.082153
O 5.995951 0.581724 0.000564
O -5.462501 1.377051 1.082520
N 4.961742 1.225797 0.000051
N -4.975597 1.099230 0.000152
C 1.290139 -0.948264 -0.000118
C -1.270030 -0.993755 -0.000092
C 0.027029 -1.759629 -0.000174
C 1.270287 0.453873 -0.000438
C -1.871882 -0.657502 -1.219231
C 2.512379 -1.639424 0.000257
C -1.871719 -0.657498 1.219126
C 3.681618 0.465189 -0.000006
C -3.683270 0.367126 0.000067
C 2.469395 1.168953 -0.000387
C -3.088430 0.027414 -1.223726
C 3.717728 -0.935256 0.000319
C -3.088267 0.027417 1.223782
H 0.321971 0.997231 -0.000731
H -1.401129 -0.936757 -2.164111
H 2.511109 -2.736255 0.000492
H -1.400836 -0.936743 2.163945
H 2.473141 2.265409 -0.000641
H -3.580844 0.298063 -2.165489
H 4.679911 -1.461137 0.000616
H -3.580558 0.298063 2.165609


%chk=000245528-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000245528

0 1
O 0.029950 -2.966084 -0.004614
O 5.017471 2.473760 0.002963
O -5.623727 1.300268 -1.140881
O 6.140930 0.487916 -0.000281
O -5.621053 1.305103 1.140532
N 5.056376 1.184951 0.001398
N -5.087997 1.024363 -0.000212
C 1.322483 -0.925982 0.000088
C -1.278249 -0.943524 -0.000470
C 0.036077 -1.701968 -0.000372
C 1.337349 0.494939 0.001956
C -1.911332 -0.621864 -1.228266
C 2.549546 -1.646394 -0.001425
C -1.908477 -0.616635 1.227417
C 3.759111 0.450525 0.000932
C -3.767569 0.340399 -0.000307
C 2.559922 1.193865 0.002404
C -3.163504 0.023658 -1.235814
C 3.776649 -0.963189 -0.001006
C -3.160680 0.028820 1.235128
H 0.395285 1.052118 0.003020
H -1.431093 -0.883831 -2.176690
H 2.510869 -2.740232 -0.002873
H -1.426015 -0.874491 2.175847
H 2.603491 2.285917 0.003834
H -3.674364 0.280057 -2.167533
H 4.734563 -1.489473 -0.002109
H -3.669411 0.289108 2.166933


