%chk=000277912.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000277912

0 1
S -2.801178 0.423521 -1.618350
S 3.927242 -0.510266 -0.625735
O -2.234517 1.365164 -2.572507
O -4.149618 -0.042278 -1.847981
O 5.098137 0.097566 -0.020491
O 4.107412 -1.573533 -1.585393
N -1.742774 -0.944787 -1.789126
N 3.123307 -1.170628 0.784876
N -1.332784 -1.491771 -0.608356
N 1.912439 -1.718764 0.474458
C -0.137895 -2.937820 0.861258
C -2.641667 1.017305 -0.021476
C 2.858937 0.680999 -1.224113
C -0.522873 -2.512043 -0.541075
C 1.227750 -2.458045 1.300874
C -3.755512 1.012460 0.830595
C 1.748006 0.299742 -1.990956
C -1.415852 1.509458 0.441932
C 3.080300 2.036551 -0.948212
C -2.422275 2.018282 2.590274
C 1.074020 2.624277 -2.180655
C -3.651700 1.513337 2.125847
C 0.864677 1.263075 -2.467804
C -1.305227 2.012040 1.739495
C 2.196091 3.004876 -1.420542
C 0.070546 -3.300235 -1.664360
C 1.652629 -2.885056 2.674715
C -2.320419 2.558481 3.977110
C 0.102765 3.635137 -2.679736
H -0.889924 -2.559223 1.594615
H -0.173473 -4.046912 0.929022
H -4.714283 0.614485 0.474386
H 1.568636 -0.759239 -2.208151
H -0.533467 1.501305 -0.209675
H 3.954567 2.337637 -0.359044
H -1.537729 -1.394933 -2.689081
H 3.650448 -1.473321 1.614372
H -4.521194 1.512371 2.780176
H -0.013112 0.973547 -3.056138
H -0.347309 2.392673 2.089360
H 2.374786 4.055947 -1.205130
H -0.252982 -2.969573 -2.658036
H 1.173892 -3.222965 -1.646215
H -0.175437 -4.367749 -1.583417
H 2.584826 -3.467673 2.644484
H 1.821702 -2.015613 3.327347
H 0.906159 -3.513707 3.176639
H -2.926841 3.470403 4.091847
H -2.685956 1.835594 4.721552
H -1.292412 2.820044 4.262338
H -0.919823 3.207360 -2.764198
H 0.034073 4.523380 -2.041889
H 0.371788 3.975717 -3.691132


%chk=000277912-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000277912

0 1
S -2.940389 0.133960 -1.730133
S 3.726966 -0.809920 -1.061260
O -2.455484 1.258083 -2.800963
O -4.374631 -0.617240 -1.933009
O 5.312060 -0.528688 -0.821327
O 3.197754 -1.983456 -2.061971
N -1.441203 -1.155253 -1.718113
N 3.045482 -1.206128 0.767302
N -1.264103 -1.675933 -0.450107
N 1.818780 -1.793713 0.611924
C -0.159686 -3.057515 1.172092
C -2.873930 0.824380 0.019694
C 2.845921 0.786658 -1.493948
C -0.517031 -2.746677 -0.269334
C 1.246473 -2.558376 1.512701
C -3.899437 0.445796 0.897849
C 1.542609 0.709934 -2.010853
C -1.850548 1.723263 0.359563
C 3.541901 1.992324 -1.306462
C -2.886161 1.926827 2.590761
C 1.567494 3.168171 -2.210227
C -3.896423 1.013180 2.191633
C 0.905842 1.920380 -2.366330
C -1.867430 2.269210 1.660143
C 2.884598 3.186338 -1.674967
C 0.121108 -3.542510 -1.386965
C 1.872372 -2.914259 2.847255
C -2.901144 2.547802 3.975504
C 0.887312 4.455854 -2.636873
H -0.889851 -2.569018 1.846232
H -0.208325 -4.147614 1.367706
H -4.675707 -0.254164 0.572645
H 1.022936 -0.244388 -2.130502
H -1.064782 1.985052 -0.354886
H 4.561268 1.990797 -0.907271
H -1.657626 -1.822778 -2.495565
H 3.819115 -1.768092 1.195931
H -4.688285 0.740739 2.898450
H -0.114712 1.879187 -2.768401
H -1.076495 2.967585 1.956971
H 3.403814 4.143586 -1.549427
H -0.576909 -3.712024 -2.231629
H 1.009421 -3.006434 -1.779407
H 0.461261 -4.527030 -1.026565
H 2.803226 -3.503772 2.713912
H 2.145284 -1.998814 3.407042
H 1.184181 -3.510442 3.467543
H -3.243211 3.599625 3.931871
H -3.578690 2.006638 4.657365
H -1.892538 2.553247 4.426368
H -0.211563 4.365069 -2.594165
H 1.193922 5.309556 -2.007099
H 1.152096 4.707597 -3.682101


