%chk=000218809.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000218809

0 1
S 9.270583 0.209293 -0.150064
O -2.071944 -0.479221 0.008582
N 5.258509 -0.482466 0.012595
N -3.561604 1.344571 -0.024123
C 1.539953 0.462339 0.040068
C 2.788731 -0.427221 0.060881
C 0.262195 -0.383293 0.017614
C 4.069637 0.422297 0.091409
C -0.975038 0.508003 -0.003938
C 6.543242 0.278005 0.128665
C 7.691735 -0.690186 -0.143525
C -3.344994 -0.003766 -0.005095
C -4.367097 -0.980069 0.002594
C -5.686653 -0.529026 -0.010743
C -5.938889 0.861091 -0.030700
C -4.863398 1.751117 -0.036810
C -6.826251 -1.490669 -0.004913
H 1.535669 1.130571 0.923733
H 1.567117 1.128179 -0.845672
H 2.805287 -1.086030 -0.832315
H 2.756565 -1.108021 0.932911
H 0.220714 -1.057451 0.897347
H 0.253213 -1.056872 -0.863783
H 4.076243 1.076110 0.990096
H 4.097846 1.095482 -0.795200
H -1.077914 1.147876 0.887987
H -1.069376 1.115632 -0.919109
H 5.207104 -1.188392 0.755168
H 6.539716 1.089321 -0.637016
H 6.666357 0.775178 1.115515
H 7.579429 -1.154632 -1.147998
H 7.716352 -1.525968 0.577447
H -4.107582 -2.033229 0.017568
H -6.958440 1.231308 -0.041537
H 9.394098 0.462312 1.168659
H -5.017212 2.836827 -0.052326
H -6.501289 -2.539791 0.020146
H -7.476708 -1.333268 0.868582
H -7.454306 -1.368838 -0.900401


%chk=000218809-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000218809

0 1
S 9.452816 0.260892 -0.266756
O -2.139062 -0.618316 0.026446
N 5.338209 -0.420062 0.113104
N -3.559332 1.279012 0.003042
C 1.546673 0.370505 0.080480
C 2.848300 -0.461393 0.085080
C 0.277470 -0.512544 0.059901
C 4.115623 0.414902 0.109686
C -0.996696 0.333349 0.045671
C 6.612980 0.326909 0.106767
C 7.780843 -0.630798 -0.179717
C -3.414920 -0.069327 0.003289
C -4.501589 -0.985531 -0.019428
C -5.815625 -0.478885 -0.043929
C -5.980058 0.938912 -0.044356
C -4.840406 1.761489 -0.020873
C -7.019659 -1.399945 -0.069998
H 1.525621 1.029455 0.973504
H 1.545111 1.041928 -0.803260
H 2.887116 -1.114351 -0.808034
H 2.847770 -1.133542 0.969789
H 0.263821 -1.175370 0.946745
H 0.288494 -1.168450 -0.831792
H 4.063806 1.111553 0.985735
H 4.141196 1.050137 -0.798179
H -1.081043 0.978109 0.940659
H -1.056045 0.984524 -0.846548
H 5.309690 -1.120095 0.868454
H 6.567246 1.084550 -0.697709
H 6.808670 0.884108 1.058654
H 7.656515 -1.099488 -1.168592
H 7.851953 -1.428987 0.579831
H -4.296675 -2.059775 -0.017947
H -6.979380 1.386009 -0.062899
H 9.453117 0.702488 1.047759
H -4.934933 2.853343 -0.020665
H -6.720693 -2.461476 -0.058444
H -7.674879 -1.219726 0.802524
H -7.630447 -1.227009 -0.975696


