%chk=000271061.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000271061

0 1
S 5.107203 0.930457 0.672619
S 6.405240 -2.894084 -1.165982
O -3.739573 0.061390 1.903666
O 5.750322 1.892728 -0.175474
O 5.479967 0.738173 2.044109
N -4.808631 0.074639 -0.202376
N -4.645593 0.746017 -1.413154
N -1.594385 1.121794 -0.012599
N -0.756205 1.913561 0.451329
N 5.166511 -0.635253 -0.134068
N 7.562211 -0.871528 0.020130
C -3.001125 1.574554 0.069328
C -3.642818 1.590837 -1.326701
C -3.834607 0.466627 0.779500
C -5.827279 -0.941073 -0.089621
C -3.173381 2.471057 -2.411244
C 3.390521 1.153041 0.575351
C 0.643605 1.560156 0.441062
C -5.968306 -1.634920 1.125012
C -6.670657 -1.221072 -1.181078
C 2.840284 1.838792 -0.513358
C 2.566212 0.686301 1.605554
C 1.462748 2.042887 -0.594825
C 1.185801 0.877050 1.543849
C -6.961671 -2.610239 1.236923
C -7.655378 -2.199889 -1.043987
C -7.805674 -2.896401 0.160132
C 6.358715 -1.298442 -0.340661
C 8.139764 -2.925035 -0.982390
C 8.562832 -1.796697 -0.346262
H -3.168762 2.553236 0.594900
H -3.097650 3.520003 -2.085085
H -3.849162 2.447597 -3.284931
H -2.177239 2.160373 -2.769781
H -5.316331 -1.424188 1.976757
H -6.559439 -0.683030 -2.123423
H 3.493396 2.226414 -1.306647
H 3.003524 0.172125 2.471825
H 1.031583 2.576801 -1.440425
H 0.538023 0.510596 2.341885
H 4.317818 -1.104470 -0.469152
H -7.075023 -3.150973 2.176935
H -8.311860 -2.421401 -1.885557
H -8.576454 -3.657873 0.257325
H 8.724259 -3.750671 -1.344422
H 9.587465 -1.533065 -0.090886


%chk=000271061-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000271061

0 1
S 4.880742 -1.861639 0.851403
S 8.728522 -0.655829 -0.774343
O -3.505404 0.930439 1.690872
O 5.592389 -1.169452 2.137633
O 4.643420 -3.471746 0.754295
N -4.825133 0.353606 -0.224376
N -4.649717 0.323402 -1.651272
N -1.425977 0.271294 -0.508806
N -0.390403 0.992339 -0.195470
N 5.938697 -1.347555 -0.839090
N 6.577800 0.899702 -0.301107
C -2.639947 1.106028 -0.672185
C -3.424589 0.727612 -1.920613
C -3.673412 0.793779 0.455619
C -6.092476 -0.040669 0.310996
C -2.885922 0.781523 -3.314343
C 3.243181 -1.000609 0.493682
C 0.817039 0.234005 0.025055
C -6.305284 -0.071089 1.714716
C -7.135356 -0.402665 -0.580803
C 3.223813 0.403282 0.472604
C 2.117608 -1.819581 0.286714
C 1.978048 1.021255 0.237566
C 0.882970 -1.186786 0.053286
C -7.565955 -0.466225 2.210582
C -8.386708 -0.794358 -0.063530
C -8.612084 -0.829266 1.332316
C 6.870935 -0.359772 -0.640707
C 8.935496 1.075061 -0.397269
C 7.709130 1.687541 -0.155552
H -2.385097 2.185939 -0.637563
H -2.546201 1.802295 -3.572036
H -3.655223 0.467907 -4.037497
H -2.008536 0.114577 -3.412049
H -5.500911 0.210192 2.397326
H -6.951976 -0.375698 -1.656890
H 4.142488 0.983008 0.608555
H 2.214563 -2.909474 0.319902
H 1.883902 2.111013 0.211126
H -0.031175 -1.766762 -0.102496
H 6.304408 -2.260509 -1.162781
H -7.726166 -0.488823 3.294120
H -9.188021 -1.073704 -0.756496
H -9.586539 -1.134460 1.728157
H 9.923877 1.529599 -0.406313
H 7.589989 2.738177 0.111163


