%chk=000261568.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000261568

0 1
S 0.276753 1.938789 -1.027699
S 2.011807 1.961897 1.540106
S -1.860923 0.260952 -2.603558
S 3.516516 -2.026964 1.635336
S -3.854595 -2.050538 0.435577
O 2.061869 -2.168057 0.763255
O -2.379502 -1.575565 1.140339
O 1.293075 1.972667 -2.055337
O 2.037166 1.057249 2.683007
O 1.437017 3.278357 1.695856
O -2.047454 -1.185137 -2.545040
O -1.227826 0.852712 -3.749877
O 4.166148 -3.295438 1.500199
O 4.149944 -0.832152 1.105349
O -4.603739 -2.648982 1.498293
O -4.353482 -0.845825 -0.206972
N 1.011311 1.186780 0.374132
N -0.885511 0.640370 -1.221184
C 0.656090 -0.242607 0.491972
C -0.746016 -0.403268 -0.169701
C 1.712791 -1.154711 -0.183680
C -1.874063 -0.262415 0.885203
C 3.561580 2.076414 0.809392
C -3.357750 1.061052 -2.294169
C 2.924067 -1.778100 3.227302
C -3.327035 -3.211176 -0.711741
H 0.593026 -0.542340 1.578502
H -0.823914 -1.436318 -0.619115
H 2.604249 -0.599132 -0.537295
H 1.302653 -1.726548 -1.040524
H -2.678195 0.430864 0.571819
H -1.496194 0.071095 1.872923
H 3.553010 2.297448 -0.272388
H 4.155056 1.126140 0.874192
H 4.215781 2.841044 1.253455
H -4.027179 0.494399 -1.594454
H -3.273410 2.057508 -1.841954
H -3.972856 1.203108 -3.196459
H 2.610443 -0.716453 3.417195
H 2.027119 -2.370304 3.472144
H 3.647753 -2.002025 4.024883
H -2.897228 -2.749090 -1.641598
H -2.523341 -3.873126 -0.348562
H -4.115413 -3.885877 -1.077526


%chk=000261568-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000261568

0 1
S 0.865955 1.689658 -2.259499
S 1.750728 2.765004 0.665467
S -2.095644 0.504829 -2.510592
S 2.677011 -2.383944 1.883355
S -3.009461 -2.177617 1.151828
O 1.786295 -2.357889 0.198170
O -1.286665 -1.387710 1.493399
O 1.431923 0.487396 -3.195743
O 0.661686 2.425407 1.832344
O 1.669804 4.137981 -0.192559
O -2.208075 -1.127220 -2.475321
O -1.774553 1.302938 -3.886935
O 3.868929 -3.467005 1.855711
O 3.014082 -0.836867 2.279844
O -3.344496 -3.018542 2.481589
O -3.973331 -0.972809 0.636007
N 1.810584 1.305169 -0.641316
N -0.718293 1.069525 -1.234622
C 1.230583 0.045873 -0.074650
C -0.303803 -0.085724 -0.368388
C 2.086142 -1.144959 -0.582680
C -1.163607 -0.038475 0.927613
C 3.492826 2.492600 1.394513
C -3.663080 1.234367 -1.711983
C 1.196829 -3.031367 2.878328
C -2.615012 -3.340541 -0.302159
H 1.374497 0.098260 1.021176
H -0.488868 -1.053266 -0.880871
H 3.156616 -0.875805 -0.522109
H 1.849498 -1.415562 -1.627145
H -2.172019 0.373535 0.725020
H -0.697368 0.601338 1.698480
H 4.191294 2.645979 0.561979
H 3.503093 1.460061 1.777425
H 3.596585 3.243989 2.190240
H -3.898381 0.588564 -0.851738
H -3.404610 2.265163 -1.436186
H -4.426968 1.183740 -2.501337
H 0.344548 -2.385261 2.617957
H 1.056238 -4.068778 2.545324
H 1.496354 -2.966419 3.933816
H -2.438526 -2.677746 -1.166223
H -1.725058 -3.905635 0.005241
H -3.504684 -3.975540 -0.421172


