%chk=000206730.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000206730

0 1
S 1.868156 -0.757288 1.177705
S -1.927680 0.342089 -2.149400
S 5.038948 0.423761 1.963033
S -4.763426 2.246689 -1.571701
P 3.719932 -0.014566 0.641214
P -3.497342 0.967824 -0.939467
O 3.252478 1.224135 -0.356654
O 4.136253 -1.178686 -0.460036
O -2.576982 1.368715 0.367049
O -4.104224 -0.497124 -0.454889
N -0.595202 -1.796165 1.065256
C -0.479314 -0.820692 -0.064888
C 1.001715 -0.718473 -0.450128
C -1.343574 -1.165040 -1.290777
C -1.877592 -1.604764 1.804851
C -0.429645 -3.221378 0.658621
C 4.109761 2.401611 -0.461466
C 5.527434 -1.249187 -0.896959
C -3.195068 2.106468 1.469693
C -5.556643 -0.669407 -0.421356
C 3.401266 3.241604 -1.508941
C 5.534051 -2.451144 -1.825005
C -2.167639 1.968596 2.576644
C -5.719605 -2.047505 0.192907
H -0.793480 0.184104 0.360733
H 1.355236 -1.556835 -1.076305
H 1.199894 0.221995 -1.005322
H -0.782619 -1.738913 -2.054020
H -2.207814 -1.804783 -1.006346
H -1.904912 -0.568741 2.207801
H -1.908711 -2.291461 2.663708
H -2.787962 -1.749179 1.198805
H 0.499642 -3.343271 0.079645
H -1.262909 -3.639893 0.077120
H -0.309973 -3.827079 1.573953
H 5.123617 2.103111 -0.782783
H 4.149197 2.908874 0.522394
H 6.187779 -1.401080 -0.020271
H 5.790055 -0.315495 -1.426482
H -4.164587 1.654722 1.743701
H -3.331313 3.156573 1.145661
H -5.944730 -0.625461 -1.457532
H -6.020151 0.120168 0.198270
H 3.900208 4.205899 -1.654084
H 2.359508 3.437312 -1.215699
H 3.359766 2.724739 -2.476523
H 6.538555 -2.653105 -2.212087
H 4.858800 -2.299815 -2.677198
H 5.181691 -3.351033 -1.301040
H -2.527535 2.386873 3.522293
H -1.225724 2.472930 2.316579
H -1.908010 0.904148 2.741992
H -6.773854 -2.349115 0.217329
H -5.333037 -2.079756 1.219827
H -5.165585 -2.804504 -0.379226


%chk=000206730-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000206730

0 1
S 2.157523 -1.465190 1.456204
S -1.295514 -0.402238 -2.159987
S 5.333487 0.461460 1.854499
S -3.314536 2.690436 -2.260689
P 3.855258 -0.211622 0.571875
P -2.682784 1.076041 -1.139187
O 3.035988 1.036304 -0.357573
O 4.306102 -1.202952 -0.783147
O -1.791330 1.375469 0.323581
O -3.944386 0.082411 -0.433525
N -0.514518 -2.606526 1.396488
C -0.345934 -1.596221 0.318762
C 1.117831 -1.560860 -0.140933
C -1.326588 -1.809180 -0.864670
C -1.650917 -2.373050 2.305598
C -0.322057 -4.025977 1.041759
C 2.615886 2.271105 0.359201
C 5.391477 -0.694270 -1.678595
C -2.342900 2.395663 1.274216
C -5.183905 -0.148814 -1.233416
C 1.778093 3.075270 -0.632030
C 5.683667 -1.818112 -2.667823
C -1.268356 2.612840 2.334718
C -6.159421 -0.872577 -0.309967
H -0.578787 -0.614996 0.771218
H 1.431099 -2.461799 -0.692140
H 1.331692 -0.666470 -0.747364
H -1.085312 -2.707103 -1.462022
H -2.368461 -1.875868 -0.508181
H -1.667534 -1.312770 2.611463
H -1.524320 -2.991509 3.212760
H -2.646546 -2.620080 1.863009
H 0.596317 -4.151654 0.444387
H -1.176332 -4.471246 0.477593
H -0.192082 -4.611734 1.969430
H 3.521744 2.815691 0.686299
H 2.025487 1.989820 1.254494
H 6.276941 -0.446869 -1.061547
H 5.030120 0.220958 -2.183121
H -3.280451 1.998440 1.705538
H -2.561431 3.321813 0.709059
H -4.928773 -0.759082 -2.121455
H -5.576079 0.828547 -1.572577
H 1.458854 4.027749 -0.168229
H 0.878118 2.511456 -0.931186
H 2.364632 3.311053 -1.536325
H 6.479676 -1.502408 -3.367791
H 4.782416 -2.066699 -3.253836
H 6.020218 -2.725315 -2.138217
H -1.623033 3.353176 3.075500
H -0.339854 2.993325 1.876634
H -1.038456 1.673303 2.865873
H -7.099386 -1.081242 -0.853557
H -6.396485 -0.253851 0.571980
H -5.739057 -1.832042 0.037148


