%chk=000217079.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000217079

0 1
S 0.212102 0.213431 -1.247929
S -2.742553 -1.223296 0.437211
S 3.310389 -0.388151 -2.632019
S -5.771752 -0.864517 0.429563
P 2.248027 -0.168854 -1.064091
O 2.713643 1.015963 -0.011033
O 2.097595 -1.436126 -0.017551
N -2.550254 1.346455 0.522102
N -3.871966 1.089728 0.502280
C -0.307457 0.245768 0.523500
C 3.836272 1.880596 -0.378929
C 3.311322 -2.177380 0.331120
C -1.771396 0.270469 0.491704
C 3.862633 2.889228 0.753881
C 2.791035 -3.265937 1.250621
C -4.179430 -0.205822 0.460511
C -6.832442 0.588130 0.432851
H 0.099988 -0.631403 1.076969
H 0.107329 1.160365 1.016436
H 3.638220 2.358495 -1.357241
H 4.759536 1.273570 -0.422753
H 4.014168 -1.496564 0.845740
H 3.765992 -2.594401 -0.588886
H 4.686505 3.602301 0.634763
H 2.923661 3.459051 0.800949
H 3.975853 2.393504 1.727612
H 3.590548 -3.953666 1.549451
H 2.344046 -2.844167 2.160343
H 2.004316 -3.854712 0.756413
H -6.675433 1.212346 1.324779
H -7.876521 0.248850 0.418732
H -6.657280 1.228548 -0.444200


%chk=000217079-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000217079

0 1
S 0.488567 1.229564 -1.875190
S -1.741000 -0.823782 0.393385
S 3.538142 -0.691664 -2.711226
S -4.711029 -1.706872 0.892393
P 2.282569 -0.012128 -1.225813
O 3.022538 0.934090 0.047776
O 1.471217 -1.136778 -0.184673
N -2.683329 1.670294 0.155339
N -3.818161 0.878939 0.413183
C -0.224722 1.632699 -0.130206
C 4.049120 1.949525 -0.326809
C 2.317385 -2.145923 0.536708
C -1.541267 0.984106 0.114795
C 4.620212 2.483827 0.983455
C 1.350934 -3.125118 1.193757
C -3.513961 -0.415105 0.561474
C -6.280926 -0.657321 0.927299
H 0.550412 1.337698 0.594375
H -0.354149 2.725631 -0.113448
H 3.561127 2.748572 -0.917922
H 4.822686 1.462846 -0.950854
H 2.936942 -1.608128 1.277450
H 2.974095 -2.646705 -0.200372
H 5.387593 3.250325 0.768871
H 3.829723 2.945600 1.599061
H 5.090168 1.672854 1.565166
H 1.922880 -3.885519 1.757443
H 0.678850 -2.603501 1.895917
H 0.736865 -3.638489 0.435161
H -6.202339 0.090299 1.728111
H -7.097559 -1.368938 1.121681
H -6.406885 -0.159096 -0.043387


