%chk=000181208.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000181208

0 1
S 2.848894 -0.958233 -0.159399
O 3.550315 -1.225870 1.072532
O 3.263254 -1.588422 -1.389402
O -3.193836 -1.615725 0.686457
N -2.743667 0.570802 0.151499
N -0.999116 -1.205919 0.299181
N 0.120978 -0.467170 0.045423
N 0.723780 -2.657349 0.373792
C -1.833296 1.681207 -0.231714
C 2.790343 0.783782 -0.409988
C -4.203225 0.900317 0.258045
C -1.223248 2.347834 1.012804
C 4.208522 1.341379 -0.560092
C -2.396887 -0.741029 0.383926
C 1.142347 -1.348113 0.093657
C -4.892318 0.805250 -1.097700
C -0.341271 3.526435 0.615694
C 4.203647 2.854584 -0.765211
C -0.606118 -2.573043 0.503637
H -1.034139 1.313182 -0.915101
H -2.417078 2.423558 -0.823154
H 2.274113 1.304757 0.423217
H 2.190967 1.049516 -1.304910
H -4.682538 0.195703 0.982602
H -4.296388 1.922950 0.686008
H -2.023536 2.684553 1.700426
H -0.627954 1.606852 1.585471
H 4.811398 1.092549 0.341276
H 4.719514 0.854503 -1.419439
H -4.446309 1.471512 -1.844757
H -4.845088 -0.215967 -1.502983
H -5.954993 1.067405 -1.014353
H -0.904478 4.301689 0.083321
H 0.101014 4.000092 1.501590
H 0.487837 3.215183 -0.031556
H 5.226558 3.237869 -0.869866
H 3.655407 3.140991 -1.669768
H 3.745529 3.378601 0.081126
H -1.318235 -3.361816 0.724607


%chk=000181208-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000181208

0 1
S 2.903376 -1.034728 -0.119351
O 3.570974 -1.334359 1.339341
O 3.516270 -1.707228 -1.472623
O -3.289099 -1.682754 0.686500
N -2.727351 0.529346 0.193147
N -1.069053 -1.272210 0.160308
N 0.113568 -0.500466 0.090915
N 0.596550 -2.775170 -0.025975
C -1.838123 1.601905 -0.325808
C 2.847347 0.896964 -0.372586
C -4.137122 0.927925 0.484034
C -1.170677 2.434547 0.791993
C 4.280803 1.426601 -0.342536
C -2.444361 -0.798418 0.363601
C 1.050081 -1.470917 -0.022227
C -5.059193 0.759728 -0.740160
C -0.338316 3.594550 0.205871
C 4.290393 2.963579 -0.524416
C -0.738436 -2.624062 0.095392
H -1.061933 1.163583 -0.970537
H -2.467828 2.259826 -0.956273
H 2.217604 1.258533 0.455718
H 2.341971 1.012746 -1.345207
H -4.503275 0.306360 1.317707
H -4.112728 1.980357 0.818829
H -1.946383 2.835464 1.473565
H -0.524704 1.765921 1.388785
H 4.752511 1.155783 0.620307
H 4.871735 0.947565 -1.145312
H -4.700752 1.349961 -1.603074
H -5.115691 -0.301416 -1.034948
H -6.079588 1.103676 -0.492769
H -0.967920 4.289159 -0.381727
H 0.145071 4.178541 1.008921
H 0.458147 3.215630 -0.462476
H 5.327201 3.342396 -0.496813
H 3.848234 3.258708 -1.493860
H 3.723864 3.468578 0.279884
H -1.482469 -3.411805 0.150760


