%chk=000218622.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000218622

0 1
S -6.844895 -0.554290 -0.533538
F 9.832726 -0.206338 -0.517962
O -6.462232 1.936051 1.573337
O 3.979819 -0.398445 1.710480
N -3.105191 1.949333 0.120269
N -0.229674 1.746987 -0.246573
C -2.328123 3.035835 -0.563347
C -2.233479 1.276607 1.140660
C -1.101784 2.419133 -1.266414
C -1.006297 0.662420 0.439330
C -4.348471 2.494966 0.749748
C 1.012234 1.205741 -0.892120
C -5.396265 1.359167 0.793753
C 2.047902 0.890068 0.199036
C 3.413595 0.556020 -0.410341
C -5.907225 0.989113 -0.596163
C 4.361960 -0.004449 0.628937
C 5.815923 -0.051482 0.272363
C -5.652079 -1.840393 -0.369993
C 6.739250 -0.150560 1.329477
C 6.271667 -0.019012 -1.053721
C -4.275843 -1.636613 -0.466600
C -6.184305 -3.116227 -0.146161
C 8.110296 -0.199867 1.075820
C 7.638240 -0.073369 -1.335548
C 8.526635 -0.159159 -0.258352
C -3.415290 -2.732988 -0.334411
C -5.315053 -4.202369 -0.018184
C -3.930723 -4.012761 -0.110850
H -1.993733 3.831926 0.138007
H -2.983762 3.512623 -1.322479
H -2.821014 0.469991 1.629284
H -1.895733 1.970663 1.942062
H -0.514798 3.230580 -1.747465
H -1.439373 1.729036 -2.069994
H -1.332443 -0.141277 -0.256036
H -0.348595 0.192228 1.203258
H -4.205402 2.893020 1.778580
H -4.751118 3.343991 0.157340
H 0.823438 0.307900 -1.518319
H 1.418504 1.988145 -1.570747
H -5.005414 0.474081 1.346841
H 1.704435 0.047942 0.836318
H 2.138702 1.752799 0.891976
H 3.298314 -0.188757 -1.225487
H 3.848541 1.461194 -0.880477
H -5.068585 0.930849 -1.321852
H -6.599499 1.765869 -0.983115
H -7.199535 1.298247 1.670916
H 6.366788 -0.193468 2.359448
H 5.564098 0.041864 -1.881795
H -3.856540 -0.642592 -0.643934
H -7.261031 -3.269931 -0.071462
H 8.827897 -0.272002 1.892502
H 7.997998 -0.050735 -2.363237
H -2.339166 -2.585236 -0.407697
H -5.716771 -5.199699 0.155254
H -3.258123 -4.861971 -0.008721


%chk=000218622-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000218622

0 1
S -6.929764 -0.638145 -0.771990
F 9.875243 -0.710851 -0.837314
O -6.624470 1.805800 1.461433
O 4.148942 0.017648 1.956268
N -3.144675 2.034968 0.137895
N -0.259969 1.865334 -0.170994
C -2.383105 3.091348 -0.574697
C -2.289378 1.413967 1.183513
C -1.118234 2.490054 -1.208433
C -1.015955 0.820337 0.559607
C -4.455091 2.495279 0.662136
C 1.027339 1.386750 -0.728759
C -5.469636 1.335075 0.684395
C 2.062944 1.026725 0.355371
C 3.444257 0.744961 -0.263253
C -5.890895 0.940913 -0.740500
C 4.473977 0.239799 0.752823
C 5.887154 0.002492 0.293405
C -5.673870 -1.949578 -0.447206
C 6.837441 -0.456344 1.247692
C 6.303985 0.215717 -1.049116
C -4.275278 -1.728943 -0.461093
C -6.182071 -3.251354 -0.205733
C 8.174077 -0.698103 0.881448
C 7.638690 -0.021727 -1.436951
C 8.542344 -0.473237 -0.458659
C -3.395669 -2.813476 -0.234806
C -5.294165 -4.326316 0.014434
C -3.895104 -4.113585 0.002661
H -2.080313 3.918323 0.114068
H -3.023878 3.518879 -1.368001
H -2.854837 0.610237 1.688991
H -1.993595 2.165198 1.956822
H -0.542181 3.291045 -1.708831
H -1.429651 1.747395 -1.987797
H -1.303318 -0.024128 -0.121951
H -0.383983 0.407887 1.365031
H -4.385417 2.914430 1.692175
H -4.845475 3.299570 0.010317
H 0.880382 0.504166 -1.408906
H 1.433898 2.206171 -1.355487
H -5.010654 0.459391 1.189024
H 1.747829 0.140933 0.935279
H 2.133858 1.861143 1.076334
H 3.355893 -0.012250 -1.072328
H 3.841206 1.659058 -0.751342
H -5.017937 0.821509 -1.401541
H -6.565471 1.707777 -1.159714
H -7.310465 1.086836 1.441835
H 6.496953 -0.615090 2.275829
H 5.592289 0.567167 -1.802310
H -3.855793 -0.733982 -0.644915
H -7.264432 -3.423262 -0.191623
H 8.917747 -1.049956 1.601940
H 7.979424 0.135681 -2.464086
H -2.314192 -2.633123 -0.245581
H -5.698172 -5.328228 0.197807
H -3.207380 -4.947886 0.177285


