%chk=000180838.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000180838

0 1
S 4.993096 0.558057 0.660039
F 5.445098 -0.244302 -1.799263
F 4.771071 -1.769160 -0.512673
F 7.526542 -1.989637 -1.213160
F 7.883495 -0.106591 -0.334983
F -5.379154 -0.923727 -2.448021
F -5.906281 0.523929 1.979933
O 5.454536 0.002724 1.919269
O 5.493304 1.830282 0.206095
O -1.583042 1.401499 -1.034681
O -4.387402 1.879957 -0.738615
N -0.901865 -0.064038 0.643265
N -3.180336 0.032676 -0.019497
C 3.295336 0.453133 0.574472
C 2.506249 1.157808 -0.355767
C 5.608352 -0.706703 -0.544219
C 2.663622 -0.377762 1.524806
C 1.109832 0.995520 -0.343504
C 0.501820 0.154665 0.592250
C 1.290900 -0.539618 1.549443
C 7.048179 -1.168544 -0.248796
C 3.090271 2.069750 -1.373141
C -1.858286 0.558331 -0.220080
C -5.580068 -0.144410 -0.244435
C -4.377005 0.732876 -0.389868
C -6.067693 -0.913260 -1.312593
C -6.337792 -0.176864 0.936450
C -7.235491 -1.676137 -1.229144
C -7.510506 -0.923362 1.068680
C -7.954548 -1.668503 -0.029544
H 3.277411 -0.905870 2.270343
H 0.501046 1.545106 -1.073313
H 0.831554 -1.184748 2.293244
H 7.161517 -1.655792 0.753768
H 3.366923 1.530465 -2.293372
H 2.389356 2.860986 -1.683925
H 4.003830 2.601080 -1.032519
H -1.233645 -0.673841 1.395952
H -3.283727 -0.908301 0.372056
H -7.585271 -2.258685 -2.083183
H -8.075080 -0.919979 2.002391
H -8.875146 -2.252815 0.051841


%chk=000180838-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000180838

0 1
S 5.073086 0.727546 0.795663
F 6.056543 -0.097896 -1.766415
F 4.846044 -1.681754 -0.648310
F 7.558215 -2.401931 -0.700921
F 8.136073 -0.313991 0.076411
F -6.635347 0.367194 -2.476576
F -4.759664 -1.115088 1.757654
O 5.458774 0.060926 2.242829
O 5.631527 2.186976 0.356343
O -1.622888 1.288732 -1.447082
O -4.512094 1.672041 -1.264115
N -0.976678 0.168322 0.528674
N -3.198785 0.056845 -0.167626
C 3.199072 0.578995 0.586900
C 2.524619 1.159635 -0.514946
C 5.847824 -0.698396 -0.524619
C 2.556442 -0.101728 1.636131
C 1.114789 1.023520 -0.525779
C 0.430041 0.334789 0.511995
C 1.159635 -0.223294 1.598674
C 7.119390 -1.302105 0.095604
C 3.218573 1.892395 -1.646655
C -1.901118 0.584294 -0.451393
C -5.630477 -0.284782 -0.363548
C -4.418500 0.584636 -0.653185
C -6.731466 -0.310529 -1.263098
C -5.821254 -1.054285 0.810184
C -7.921212 -1.015583 -1.012258
C -6.983612 -1.769886 1.121541
C -8.046341 -1.741298 0.191267
H 3.145761 -0.509961 2.463383
H 0.538816 1.461173 -1.343320
H 0.639522 -0.751958 2.406180
H 6.955157 -1.641133 1.131614
H 3.853840 1.208676 -2.239991
H 2.475747 2.335967 -2.327602
H 3.879137 2.689392 -1.265179
H -1.355964 -0.264494 1.374720
H -3.265723 -0.760400 0.445496
H -8.721549 -0.989835 -1.756020
H -7.046379 -2.326054 2.059977
H -8.968573 -2.289480 0.403401


