%chk=000268982.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000268982

0 1
S 4.274042 1.321563 -0.857613
O 4.511795 -0.170687 1.564118
O 5.642500 0.464766 -1.361739
O -6.410941 0.939766 1.540296
O 3.782129 1.890340 -2.096360
O 4.688356 2.196408 0.198923
N -4.904491 -0.519524 0.701019
C 0.150802 -1.745449 -1.667959
C -1.177121 -1.414864 -1.038099
C -2.747167 0.235380 -0.154515
C 1.303026 -1.341911 -0.788178
C -3.663124 -0.814103 0.120735
C -1.504963 -0.098410 -0.738896
C -3.127774 1.606609 0.176657
C -2.103022 -2.448316 -0.756188
C -3.327981 -2.160912 -0.187110
C 2.172866 -0.324357 -1.173437
C 3.246171 0.056991 -0.349028
C 1.505256 -1.998026 0.447725
C 3.432685 -0.619596 0.866899
C -4.338149 1.858838 0.738870
C 2.560830 -1.650438 1.277825
C -5.308665 0.818334 1.040092
C -2.174400 2.717387 -0.109360
C 4.811704 -0.761738 2.855908
H 0.223993 -2.830947 -1.897308
H 0.216957 -1.248784 -2.661998
H -0.786591 0.694721 -0.956039
H -1.844683 -3.481116 -0.994214
H -4.038112 -2.957734 0.025586
H 2.026244 0.197041 -2.129697
H 0.813163 -2.788071 0.750652
H -5.562632 -1.277932 0.895219
H -4.662083 2.867363 1.001727
H 2.708784 -2.162613 2.223749
H -1.224873 2.586274 0.432237
H -2.568859 3.702071 0.183348
H -1.936885 2.781062 -1.182510
H 6.125815 0.854658 -2.104153
H 5.057919 -1.820398 2.739511
H 3.984374 -0.595802 3.551206
H 5.697207 -0.178342 3.153402


%chk=000268982-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000268982

0 1
S 4.786045 1.006032 -1.446877
O 4.776574 -0.172774 1.310845
O 6.293483 -0.003522 -1.113741
O -6.660709 0.704185 1.670603
O 4.587556 0.980753 -3.045498
O 4.889860 2.406909 -0.649698
N -5.071731 -0.645672 0.623694
C 0.092856 -1.581441 -1.784017
C -1.264785 -1.337886 -1.127513
C -2.875095 0.192069 -0.030845
C 1.295596 -1.183923 -0.930158
C -3.824200 -0.883056 0.044823
C -1.608826 -0.068276 -0.620660
C -3.258341 1.503929 0.499843
C -2.225405 -2.383414 -1.038622
C -3.488126 -2.165224 -0.462516
C 2.351141 -0.417711 -1.482638
C 3.456154 -0.091727 -0.686233
C 1.405174 -1.588997 0.424186
C 3.588992 -0.515383 0.654396
C -4.510244 1.668394 1.061332
C 2.532764 -1.274577 1.212098
C -5.502287 0.593062 1.160227
C -2.285405 2.662494 0.425939
C 4.875611 -0.438069 2.754816
H 0.173193 -2.655572 -2.043710
H 0.145945 -1.033218 -2.744817
H -0.875630 0.743440 -0.681157
H -1.978002 -3.377764 -1.429386
H -4.216664 -2.982403 -0.402910
H 2.325253 -0.077026 -2.524295
H 0.589135 -2.166441 0.873019
H -5.756422 -1.406161 0.681471
H -4.829754 2.632605 1.466979
H 2.586862 -1.623229 2.247489
H -1.345622 2.436263 0.964173
H -2.721050 3.572257 0.869194
H -2.011948 2.890733 -0.621547
H 6.321849 -0.070281 -0.109391
H 4.874146 -1.525370 2.955633
H 4.049587 0.056140 3.297171
H 5.836572 -0.000643 3.059601


