%chk=000273055.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000273055

0 1
S 5.827119 2.220626 0.389424
S -5.825683 -2.216532 0.408290
P 5.905987 0.330392 -0.024973
P -5.904767 -0.329152 -0.018950
N 6.642100 -0.055851 -1.580302
N 6.856505 -0.599212 1.135621
N -6.640210 0.046305 -1.577236
N -6.855981 0.608304 1.134760
N 4.353710 -0.489410 -0.124534
N -4.352581 0.490213 -0.123188
C 8.060082 -0.525571 -1.684872
C 7.672112 0.851935 -2.173503
C 6.853778 -0.212147 2.579822
C 6.201335 -1.501963 2.133323
C -8.058335 0.514688 -1.685744
C -7.669495 -0.865897 -2.164900
C -6.855818 0.229610 2.581192
C -6.201113 1.515995 2.128176
C 3.166122 0.416931 -0.219894
C -3.164998 -0.416659 -0.213627
C 1.895197 -0.451284 -0.213769
C -1.894077 0.451580 -0.214936
C 0.638014 0.427114 -0.220656
C -0.636888 -0.426849 -0.216939
H 8.213758 -1.343738 -2.398040
H 8.696113 -0.652052 -0.801285
H 8.021223 1.755351 -1.658265
H 7.541399 1.044378 -3.245385
H 6.255751 0.623991 2.961636
H 7.843403 -0.225309 3.052919
H 6.711684 -2.460908 2.280233
H 5.113211 -1.625187 2.178126
H -8.211969 1.327982 -2.404475
H -8.694906 0.646842 -0.803382
H -8.018497 -1.765989 -1.643805
H -7.538104 -1.065472 -3.235394
H -6.259382 -0.605056 2.968709
H -7.846101 0.246757 3.052774
H -5.112903 1.638142 2.173821
H -6.710466 2.476416 2.268787
H 4.311286 -1.223131 -0.864169
H -4.310279 1.219797 -0.866911
H 3.151932 1.101556 0.662969
H 3.174143 1.064224 -1.127010
H -3.173935 -1.070294 -1.116176
H -3.149910 -1.095061 0.674022
H 1.897263 -1.108917 0.678894
H 1.887877 -1.130875 -1.087462
H -1.895199 1.115477 0.673083
H -1.887663 1.124987 -1.093413
H 0.642810 1.099837 0.659894
H 0.644589 1.091505 -1.106958
H -0.644410 -1.097516 -1.098495
H -0.640734 -1.093300 0.668371


%chk=000273055-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000273055

0 1
S 4.860682 1.118906 1.881762
S -4.865667 -1.136038 1.873495
P 5.504532 -0.020274 0.236295
P -5.504511 0.017822 0.236461
N 7.116265 0.355643 -0.465879
N 5.735818 -1.787369 0.498138
N -7.116473 -0.345752 -0.470591
N -5.729394 1.783542 0.513934
N 4.471672 0.077793 -1.129955
N -4.472923 -0.075873 -1.131036
C 8.222511 0.786549 0.481140
C 7.558303 1.805835 -0.424424
C 6.273630 -2.245073 1.842955
C 4.812633 -2.458644 1.497874
C -8.228391 -0.772289 0.471342
C -7.568254 -1.792849 -0.435875
C -6.259437 2.231130 1.865417
C -4.799657 2.443626 1.514999
C 3.155250 0.736843 -1.152314
C -3.155334 -0.732325 -1.155837
C 1.963121 -0.246809 -1.140426
C -1.964253 0.252578 -1.140118
C 0.602859 0.486089 -1.160774
C -0.603592 -0.479517 -1.162916
H 9.206497 0.379741 0.231263
H 7.982674 0.854677 1.550878
H 6.885457 2.529387 0.054984
H 8.058227 2.141428 -1.337385
H 6.490073 -1.475555 2.596278
H 6.986047 -3.072558 1.778783
H 4.458534 -3.443596 1.180534
H 4.085044 -1.826298 2.024507
H -9.208930 -0.358049 0.220140
H -7.992462 -0.846183 1.541557
H -6.901665 -2.522586 0.042910
H -8.067651 -2.121886 -1.351514
H -6.474196 1.455518 2.612974
H -6.969930 3.061034 1.811861
H -4.071276 1.805070 2.033024
H -4.444190 3.430202 1.204282
H 4.761185 -0.456221 -1.952541
H -4.765989 0.456462 -1.953436
H 3.103522 1.396306 -0.264589
H 3.098432 1.388511 -2.047832
H -3.097590 -1.380287 -2.053977
H -3.102729 -1.395510 -0.270902
H 2.034576 -0.880213 -0.233739
H 2.033629 -0.929025 -2.013033
H -2.036273 0.882515 -0.231082
H -2.035231 0.938024 -2.010101
H 0.534976 1.153420 -0.276949
H 0.547817 1.143646 -2.053918
H -0.548060 -1.133501 -2.058670
H -0.535811 -1.150417 -0.281778


