%chk=000276464.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000276464

0 1
S 1.431583 -0.377597 -1.794223
O 1.165530 0.809020 -2.578417
O 1.474471 -1.666942 -2.458352
O -5.156033 -2.945642 1.157280
O 0.853261 2.823249 -1.351437
O -1.353784 2.464551 -1.597768
N 0.157893 -0.546596 -0.627254
C -0.701849 -1.762789 -0.705396
C 0.000727 0.286659 0.522403
C 2.839009 -0.164510 -0.839259
C -2.172488 -1.475855 -0.493385
C -0.197271 1.679215 0.396565
C 0.040686 -0.283749 1.813720
C 3.646208 -1.273804 -0.548200
C 3.207228 1.101615 -0.368312
C -2.919970 -2.387976 0.274900
C -2.790784 -0.368235 -1.074758
C 5.167844 0.147165 0.696602
C -0.311054 2.480458 1.542190
C 4.801200 -1.123861 0.215182
C 4.362408 1.258932 0.396833
C -0.088254 0.522941 2.941157
C -4.287082 -2.150792 0.438294
C -0.253201 1.908300 2.811586
C -4.164686 -0.149798 -0.886937
C -4.929706 -1.032672 -0.134416
C -0.358834 2.320323 -0.933357
C 6.411848 0.314347 1.501451
C -4.628623 -4.142833 1.774431
H -0.338771 -2.523318 0.024781
H -0.576688 -2.226867 -1.721810
H 0.168158 -1.359067 1.924798
H 3.372832 -2.264641 -0.931271
H 2.585499 1.981366 -0.602626
H -2.440528 -3.248480 0.723696
H -2.213961 0.346524 -1.668129
H -0.455814 3.557237 1.431573
H 5.423678 -1.989316 0.434421
H 4.639274 2.247948 0.758584
H -0.057875 0.072607 3.934222
H -0.346831 2.532675 3.697809
H -4.632080 0.725924 -1.340549
H -5.994610 -0.885702 0.021679
H 6.668507 -0.586186 2.076731
H 7.271257 0.531172 0.846243
H 6.341813 1.143808 2.219469
H 0.884749 2.953486 -2.348142
H -3.874136 -3.884101 2.522256
H -4.233882 -4.821405 1.012882
H -5.524369 -4.564290 2.249061


%chk=000276464-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000276464

0 1
S 1.463904 0.347185 -1.852855
O 1.657590 1.935389 -2.131670
O 1.339354 -0.758724 -3.037850
O -4.467980 -3.633215 1.391336
O -0.381973 4.315355 -1.622090
O -1.511018 2.402759 -2.280625
N -0.195291 0.189664 -0.824439
C -0.526687 -1.239374 -0.631684
C -0.264071 1.122529 0.245216
C 2.867343 -0.196139 -0.710430
C -2.033283 -1.408411 -0.433433
C -0.461488 2.512306 -0.050001
C -0.121475 0.720625 1.603419
C 3.290216 -1.534108 -0.773150
C 3.435267 0.756783 0.151856
C -2.501162 -2.435223 0.424906
C -2.948340 -0.585489 -1.129017
C 4.947579 -1.011064 0.979083
C -0.435251 3.455618 1.007551
C 4.339355 -1.932131 0.084489
C 4.481307 0.331041 0.999474
C -0.154958 1.666385 2.645837
C -3.894263 -2.644138 0.571747
C -0.288350 3.042893 2.348186
C -4.336749 -0.804930 -0.966137
C -4.817832 -1.826914 -0.125451
C -0.820622 2.995256 -1.421412
C 6.099415 -1.442101 1.868121
C -3.560905 -4.509942 2.131138
H 0.026237 -1.722956 0.205171
H -0.220246 -1.747025 -1.567561
H 0.013352 -0.338792 1.841038
H 2.833469 -2.226485 -1.488016
H 3.087944 1.794752 0.141998
H -1.779235 -3.059503 0.963468
H -2.571798 0.219951 -1.768300
H -0.558531 4.513959 0.762724
H 4.695255 -2.968284 0.051216
H 4.945059 1.053682 1.680632
H -0.058882 1.333635 3.685276
H -0.292784 3.785373 3.152863
H -5.050876 -0.169740 -1.501696
H -5.888417 -2.007966 0.010467
H 6.041201 -2.515444 2.118341
H 7.068943 -1.275339 1.360077
H 6.121921 -0.868954 2.811154
H -0.642953 4.592129 -2.541336
H -2.929263 -3.935801 2.837985
H -2.913058 -5.092656 1.446716
H -4.214471 -5.193924 2.692468


