%chk=000240972.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000240972

0 1
S 4.438227 -1.406607 -2.155228
O 0.200469 -3.072358 0.009251
O 2.133734 0.962341 1.612654
N -0.451708 -0.831335 0.080722
N 0.087613 0.365889 0.657161
C 1.711535 -1.378850 0.971007
C 2.974722 -1.644368 0.138875
C 0.447498 -1.941937 0.330765
C 1.436690 0.113211 1.126186
C 2.878663 -1.097890 -1.278421
C -1.892355 -1.008948 0.149261
C -0.245726 1.622463 0.007374
C -2.436854 -2.044385 -0.633339
C 0.065527 2.798417 0.715397
C -2.720019 -0.178500 0.921365
C -0.877360 1.681734 -1.244881
C -3.819427 -2.233643 -0.640284
C -0.269493 4.033535 0.159045
C -4.101886 -0.381670 0.893008
C -1.210000 2.928986 -1.779141
C -4.654579 -1.404058 0.115889
C -0.909397 4.103711 -1.083207
C 5.480937 -0.029145 -1.632451
H 1.841506 -1.843678 1.984383
H 3.158316 -2.742487 0.114011
H 3.844370 -1.201578 0.672647
H 2.085923 -1.613356 -1.861066
H 2.628912 -0.021016 -1.296465
H -1.785981 -2.701528 -1.214451
H 0.575313 2.745831 1.680051
H -2.300001 0.617692 1.536245
H -1.112759 0.772624 -1.798745
H -4.247899 -3.035872 -1.241382
H -0.029297 4.948709 0.700492
H -4.750667 0.262789 1.486132
H -1.705471 2.981959 -2.748647
H -5.731965 -1.556369 0.100994
H -1.170880 5.071152 -1.507442
H 5.083022 0.935542 -1.966104
H 6.469497 -0.166748 -2.092209
H 5.613047 0.003840 -0.545952


%chk=000240972-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000240972

0 1
S 4.660751 -1.538167 -2.243023
O 0.209893 -3.120907 0.031687
O 2.297651 1.066735 1.310710
N -0.459575 -0.845920 0.131692
N 0.157573 0.403057 0.531103
C 1.739784 -1.333661 0.883120
C 3.046476 -1.673696 0.112087
C 0.459322 -1.915993 0.283376
C 1.481508 0.170433 0.978068
C 3.033047 -1.188402 -1.348382
C -1.892262 -0.987225 0.138729
C -0.311028 1.653230 -0.008556
C -2.480898 -1.990798 -0.670997
C -0.066343 2.840782 0.724537
C -2.698297 -0.162376 0.962857
C -0.975255 1.701978 -1.259535
C -3.880811 -2.167958 -0.641684
C -0.484591 4.079242 0.192643
C -4.097206 -0.342589 0.967203
C -1.400905 2.946630 -1.769024
C -4.695651 -1.344942 0.169261
C -1.157231 4.139489 -1.049728
C 5.721426 -0.173641 -1.490444
H 1.838265 -1.754704 1.903703
H 3.188842 -2.768462 0.136785
H 3.883811 -1.206837 0.661472
H 2.267895 -1.720850 -1.939671
H 2.844029 -0.101974 -1.418681
H -1.849357 -2.630223 -1.291266
H 0.457877 2.791263 1.681503
H -2.239877 0.605096 1.592587
H -1.157204 0.783323 -1.824323
H -4.333259 -2.949647 -1.261278
H -0.288033 4.997403 0.756546
H -4.718322 0.299060 1.601527
H -1.919261 2.982299 -2.733282
H -5.782119 -1.482079 0.179296
H -1.488075 5.102851 -1.451981
H 5.262235 0.809760 -1.679900
H 6.698101 -0.229409 -1.996190
H 5.858869 -0.328070 -0.409045


