%chk=000215502.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000215502

0 1
S 1.578921 0.382488 0.195655
S 0.503607 -2.256129 0.898936
O 4.151711 0.729972 0.331835
O 4.029329 -1.158543 -0.987050
N 4.230088 0.975110 -1.912717
C 0.403986 -0.929640 -0.366561
C 2.423623 -0.498751 1.575923
C 2.237023 -1.987385 1.371312
C -0.979695 -0.371978 -0.308055
C 0.896760 -1.450317 -1.689704
C 3.888626 -0.056464 1.521632
C -1.823119 -0.384205 -1.429733
C -1.465094 0.174331 0.895303
C -3.596865 0.682711 -0.155653
C -5.004523 1.244814 -0.090947
C -3.116772 0.137964 -1.354450
C -2.756512 0.694427 0.968596
C -4.970227 2.740210 0.248640
C -5.848764 0.459662 0.920689
C 4.079936 0.050235 -0.881893
H 1.953108 -0.163191 2.531467
H 2.914698 -2.381320 0.575496
H 2.438198 -2.572982 2.287873
H 1.950316 -1.789350 -1.639949
H 0.313450 -2.317536 -2.034795
H 0.852306 -0.689751 -2.481199
H 4.595512 -0.907145 1.547933
H 4.142925 0.677514 2.311442
H -1.481276 -0.804140 -2.374789
H -0.832639 0.195385 1.784968
H -5.486312 1.133783 -1.097650
H -3.752307 0.116897 -2.237892
H -3.115309 1.112889 1.907529
H -4.563870 2.922991 1.249571
H -5.974664 3.175471 0.218817
H -4.344956 3.293170 -0.461869
H -5.849850 -0.611695 0.688219
H -6.888701 0.802732 0.918853
H -5.469399 0.569462 1.942653
H 4.080765 1.955850 -1.713582
H 3.970865 0.678755 -2.844355


%chk=000215502-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000215502

0 1
S 1.346334 0.981194 -0.008220
S 0.564559 -1.932153 0.655258
O 4.582517 0.351910 -0.192842
O 5.791343 -1.490178 0.675829
N 6.029060 -0.755059 -1.543317
C 0.189970 -0.487597 -0.564493
C 2.495352 -0.006358 1.159063
C 2.387383 -1.495876 0.805746
C -1.269915 -0.075708 -0.398472
C 0.598915 -0.898246 -1.988395
C 3.930809 0.545508 1.119441
C -2.161632 -0.030453 -1.497604
C -1.772880 0.281397 0.882539
C -4.015176 0.705404 -0.045020
C -5.480805 1.104609 0.141255
C -3.510745 0.356178 -1.319103
C -3.115610 0.659231 1.055697
C -5.620727 2.526637 0.746951
C -6.242000 0.061396 1.004095
C 5.506541 -0.715207 -0.271477
H 2.105919 0.160949 2.180585
H 2.896947 -1.725369 -0.142855
H 2.808211 -2.131825 1.603096
H 1.654560 -1.213284 -2.008248
H -0.020957 -1.740116 -2.346744
H 0.495604 -0.047423 -2.686881
H 4.537573 0.038710 1.893866
H 3.937829 1.634757 1.287851
H -1.816555 -0.295011 -2.501654
H -1.091439 0.257924 1.739405
H -5.953155 1.118666 -0.861968
H -4.180926 0.384270 -2.187562
H -3.470325 0.924985 2.058858
H -5.181983 2.572282 1.761074
H -6.686732 2.809749 0.828652
H -5.107333 3.279930 0.122845
H -6.177549 -0.947929 0.559463
H -7.309823 0.335362 1.093692
H -5.818585 0.008207 2.024399
H 5.738175 -0.071589 -2.238478
H 6.722149 -1.463576 -1.765829


