%chk=000201308.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000201308

0 1
S -4.332792 -0.786843 -1.609238
F 1.291307 -4.442981 -1.340668
F 2.064390 -2.559046 -1.908600
F 1.804152 -3.031218 0.134376
O 7.124418 1.202410 2.283328
N 1.142608 1.705811 -0.202798
N 3.994554 1.550121 0.299001
N -2.344299 -0.118539 0.680103
C 2.062193 1.191605 -1.282760
C 1.893926 2.940412 0.229288
C 2.517586 2.442566 -2.086398
C 2.412038 3.606451 -1.077941
C 3.249916 0.538377 -0.528917
C 3.066851 2.421357 1.100911
C -0.245790 1.982234 -0.686144
C 4.975819 0.863264 1.198257
C -1.191269 2.112938 0.519019
C -1.336333 0.796531 1.296823
C 6.117664 1.852334 1.494182
C -1.910200 -1.038008 -0.311423
C -3.723041 0.171360 0.904523
C -2.759611 -1.499278 -1.339269
C -4.726012 -0.158971 -0.025964
C -0.600976 -1.571231 -0.242544
C -4.116738 0.760051 2.128408
C -2.352465 -2.489109 -2.230852
C -0.200173 -2.559970 -1.141877
C -6.076406 0.052819 0.253654
C -5.465079 0.989241 2.395587
C -1.065424 -3.026351 -2.140089
C -6.450304 0.636134 1.466498
C 1.192496 -3.132670 -1.058195
H 1.563134 0.436994 -1.924956
H 1.254653 3.624222 0.823504
H 1.878197 2.605298 -2.965869
H 3.549925 2.326515 -2.454628
H 3.391961 4.085624 -0.920372
H 1.724019 4.388900 -1.428179
H 3.972138 0.125907 -1.265555
H 2.863961 -0.309684 0.076437
H 2.649127 1.900650 1.989876
H 3.664400 3.282001 1.468472
H -0.574384 1.133419 -1.327241
H -0.316995 2.893982 -1.317265
H 4.538024 0.494421 2.150585
H 5.391164 -0.032870 0.689220
H -0.818122 2.895990 1.209040
H -2.181564 2.467605 0.168847
H -1.638406 0.999434 2.350303
H -0.346702 0.276932 1.356423
H 6.566266 2.253924 0.569049
H 5.798474 2.687007 2.144144
H 7.566787 0.500824 1.769063
H 0.088491 -1.189103 0.519128
H -3.366257 1.025785 2.873225
H -3.032380 -2.846971 -3.008515
H -6.841402 -0.229423 -0.472926
H -5.753815 1.444189 3.343832
H -0.752851 -3.795711 -2.845878
H -7.500449 0.812141 1.687453


%chk=000201308-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000201308

0 1
S -3.151476 -0.428337 -2.225532
F 1.566660 -4.866897 -0.016787
F 2.585309 -2.860879 0.248956
F 1.251457 -3.669846 1.889259
O 7.203216 0.354313 0.583576
N 0.808302 2.021595 0.107616
N 3.627857 1.395966 -0.209961
N -2.099923 0.024965 0.633139
C 1.408975 1.814512 -1.252067
C 1.869421 2.872050 0.745605
C 1.926015 3.228144 -1.692446
C 2.242353 3.944416 -0.338875
C 2.574754 0.814236 -1.083962
C 3.068653 1.945010 1.051660
C -0.558051 2.605763 0.114714
C 4.778014 0.489723 0.000984
C -1.302476 2.276039 1.430130
C -1.346583 0.752410 1.687121
C 6.075833 1.262662 0.319053
C -1.491356 -1.070263 -0.040568
C -3.498028 0.281750 0.480829
C -1.909109 -1.448284 -1.351618
C -4.153433 0.048892 -0.759354
C -0.449503 -1.823776 0.558536
C -4.284148 0.762992 1.563120
C -1.318049 -2.535394 -2.025090
C 0.178514 -2.874402 -0.146317
C -5.538583 0.250935 -0.910171
C -5.665815 1.003670 1.404834
C -0.249166 -3.245255 -1.439940
C -6.303790 0.743568 0.172149
C 1.354281 -3.560087 0.478824
H 0.657304 1.387820 -1.938758
H 1.499287 3.315988 1.686780
H 1.145539 3.765613 -2.261405
H 2.824923 3.146509 -2.326284
H 3.306461 4.224830 -0.267285
H 1.635300 4.859092 -0.211036
H 3.027108 0.592305 -2.069881
H 2.158775 -0.136609 -0.671737
H 2.717400 1.133473 1.737284
H 3.857411 2.516247 1.575632
H -1.118924 2.160878 -0.728875
H -0.562815 3.710796 -0.036686
H 4.592703 -0.257222 0.810918
H 4.931381 -0.086761 -0.933915
H -0.781747 2.743826 2.289590
H -2.318764 2.711192 1.392152
H -1.741476 0.526805 2.697942
H -0.299793 0.416376 1.640576
H 6.298916 1.964750 -0.510983
H 5.978328 1.842978 1.251035
H 7.368435 -0.196680 -0.222999
H -0.126921 -1.603221 1.578411
H -3.817366 0.945489 2.534903
H -1.679217 -2.809489 -3.021226
H -6.011467 0.041026 -1.875413
H -6.243805 1.384120 2.253923
H 0.230133 -4.071190 -1.971907
H -7.376834 0.920673 0.049324


