%chk=000186860.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000186860

0 1
S 1.237971 1.378332 1.097414
S -3.792017 -0.440287 1.422814
S 1.902415 -0.822138 -1.206150
O -0.147770 -2.680467 -1.608851
O 3.693060 2.058976 1.215030
O -4.897394 -0.243956 -2.335251
O 4.598254 -0.097008 -1.622486
O 4.203125 2.511144 -0.932608
O -4.171419 -2.345928 -2.061248
O 4.733744 -0.356352 0.610904
N -1.912720 1.245251 1.961780
N 2.322480 4.701014 -0.903078
N -6.873672 -2.169128 -0.654003
N 4.959957 -3.175268 -0.025172
C -1.303372 0.307898 1.031403
C -0.004274 0.258626 0.519915
C -2.237440 -0.692232 0.644023
C 0.357071 -0.744726 -0.386671
C -0.590237 -1.716404 -0.745788
C -1.898866 -1.711150 -0.226666
C 1.030237 2.803501 -0.030152
C -4.851161 -1.790636 0.828872
C 2.604070 -2.392284 -0.588819
C 2.295970 3.648836 0.134099
C -2.119686 2.595974 1.364007
C -1.218512 1.311944 3.280009
C -5.680992 -1.332852 -0.373318
C 4.112252 -2.267308 -0.830606
C 3.499729 2.691662 0.046542
C -4.836757 -1.421853 -1.648434
C 4.511847 -0.826045 -0.491237
H -2.608297 -2.485976 -0.525341
H 0.885121 2.463931 -1.073513
H 0.124612 3.387932 0.248066
H -4.274180 -2.709390 0.607330
H -5.510230 -2.049112 1.683259
H 2.359847 -2.526918 0.480392
H 2.160031 -3.243775 -1.137793
H 2.304307 4.144838 1.146756
H -1.195972 3.171778 1.173780
H -2.669089 2.494926 0.413254
H -2.754584 3.182891 2.048821
H -0.951765 0.297480 3.616966
H -0.306609 1.928568 3.295964
H -1.931463 1.726852 4.012548
H -6.022770 -0.264070 -0.240875
H 4.348793 -2.461004 -1.918802
H -0.894853 -3.255077 -1.936044
H 3.112889 5.327818 -0.769356
H 2.409595 4.300322 -1.836835
H -6.656589 -3.161934 -0.628706
H -7.616548 -1.986912 0.013082
H 4.665807 -4.140856 -0.134947
H 4.920298 -2.941992 0.966444
H 4.368396 1.271050 1.163027
H -4.382546 -0.262932 -3.188973
H 4.778212 0.903023 -1.465179


%chk=000186860-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000186860

0 1
S 1.139154 1.491675 1.224469
S -4.070856 -0.354306 1.437675
S 1.797627 -0.598298 -1.363543
O -0.404419 -2.595159 -1.709311
O 4.307231 2.051217 1.082527
O -5.358408 -0.529938 -2.484755
O 4.879193 -0.057827 -1.806906
O 4.342089 2.345696 -1.219495
O -4.370998 -2.589216 -2.078239
O 5.054408 -0.311785 0.494138
N -1.929231 1.437457 1.985193
N 2.752309 4.725545 -0.853831
N -6.960935 -2.693892 -0.593819
N 4.918736 -3.120221 -0.001336
C -1.466005 0.443299 1.057543
C -0.151957 0.386345 0.497719
C -2.408174 -0.562332 0.682092
C 0.195500 -0.606056 -0.468105
C -0.767681 -1.595482 -0.792607
C -2.051762 -1.592770 -0.203581
C 1.396739 2.808860 -0.134191
C -5.054131 -1.879910 0.846799
C 2.677432 -2.065722 -0.482358
C 2.714536 3.609722 0.098041
C -1.900529 2.856290 1.594115
C -1.704598 1.175944 3.419572
C -5.939690 -1.653283 -0.410668
C 4.200613 -2.166263 -0.850017
C 3.883628 2.625387 -0.059597
C -5.127886 -1.656408 -1.709768
C 4.785979 -0.770370 -0.667486
H -2.763359 -2.368397 -0.499834
H 1.428244 2.287561 -1.105704
H 0.559499 3.522041 -0.104591
H -4.385416 -2.749783 0.726793
H -5.726991 -2.083623 1.697646
H 2.575452 -1.884584 0.600637
H 2.151437 -2.988004 -0.778476
H 2.722985 4.003628 1.129074
H -0.937473 3.360780 1.831540
H -2.089749 2.947101 0.511013
H -2.710263 3.392001 2.127191
H -1.897106 0.111688 3.638805
H -0.667660 1.425413 3.741324
H -2.412785 1.779575 4.018215
H -6.445230 -0.677850 -0.326890
H 4.306744 -2.445794 -1.910949
H -1.200643 -3.123967 -1.971785
H 3.336530 5.512464 -0.557272
H 2.962724 4.424067 -1.811981
H -6.627806 -3.653419 -0.692210
H -7.847592 -2.572278 -0.107998
H 4.625567 -4.094841 -0.093485
H 5.044320 -2.804351 0.965023
H 4.803039 1.137070 0.917791
H -4.850909 -0.596953 -3.340220
H 4.856833 0.980852 -1.634330


