%chk=000259701.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000259701

0 1
Cl -7.188136 -2.207722 -1.208846
O -7.449028 0.702244 -0.650445
O -7.442056 0.528555 1.648285
O 6.018871 -2.112465 1.122952
N 0.987148 -0.306440 -0.930006
N 7.606756 1.376711 -0.189682
N 7.834220 -0.965575 0.334275
N 9.660724 0.214139 -0.648779
C -6.939935 -0.093988 0.438801
C 3.320468 -0.113058 -0.155210
C -7.773324 2.025618 -0.165358
C -7.862775 1.883111 1.360428
C 4.235276 0.108122 1.059001
C 1.851133 -0.212374 0.280026
C -5.442833 -0.127119 0.475475
C -7.617902 -1.465060 0.347721
C 5.671092 0.206174 0.638306
C -4.699875 -0.164301 -0.637899
C 6.236401 1.358980 0.184061
C -0.417009 -0.324523 -0.781921
C -3.235370 -0.210163 -0.665098
C 6.456327 -1.055354 0.730219
C -1.061840 0.201540 0.358252
C -1.199140 -0.801068 -1.865028
C -2.452804 0.254123 0.405354
C -2.584136 -0.732019 -1.801766
C 5.535982 2.666172 0.031079
C 8.343342 0.158604 -0.121910
H 3.446505 0.709511 -0.886177
H 3.632847 -1.037922 -0.682543
H -8.725491 2.276714 -0.659895
H -6.971236 2.704228 -0.499261
H -8.885754 1.958800 1.763400
H -7.177984 2.547772 1.911359
H 4.122457 -0.743727 1.771233
H 3.928591 1.012591 1.621158
H 1.557485 0.697104 0.852741
H 1.704919 -1.083766 0.958270
H -5.025030 -0.127925 1.481193
H -8.719575 -1.359127 0.397734
H -7.288668 -2.128621 1.169666
H 1.357530 -0.939097 -1.641078
H -5.189897 -0.168731 -1.622037
H -0.482857 0.574916 1.197500
H -0.717769 -1.210860 -2.748699
H -2.940034 0.668141 1.289471
H -3.177901 -1.097245 -2.641543
H 7.998862 2.205569 -0.630092
H 5.265380 2.856937 -1.020002
H 6.130874 3.519511 0.386185
H 4.590196 2.687958 0.601351
H 10.244676 0.971582 -0.313250
H 10.152996 -0.682076 -0.599571


%chk=000259701-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000259701

0 1
Cl -7.244110 -2.942546 0.027309
O -7.628333 0.199579 -0.781124
O -7.642040 0.914693 1.485597
O 5.685144 -2.153432 0.111509
N 0.944229 -0.238427 -0.810152
N 7.850032 1.285194 -0.078839
N 7.711453 -1.088175 -0.377651
N 9.701072 0.033430 -0.876565
C -7.104290 -0.147118 0.545128
C 3.320594 0.035991 -0.195323
C -7.746192 1.675816 -0.770228
C -8.288541 1.954569 0.645208
C 4.333502 0.173633 0.972519
C 1.871884 -0.083526 0.314816
C -5.597304 -0.116513 0.624247
C -7.787317 -1.438413 1.016767
C 5.766955 0.228322 0.487016
C -4.789379 -0.243014 -0.467981
C 6.520061 1.381006 0.391768
C -0.442568 -0.243457 -0.694825
C -3.321312 -0.231790 -0.504747
C 6.365689 -1.080815 0.067766
C -1.097924 -0.043583 0.560796
C -1.257735 -0.441211 -1.851630
C -2.499822 -0.037993 0.642489
C -2.656185 -0.433273 -1.750453
C 6.088782 2.787625 0.738122
C 8.390192 0.049276 -0.437005
H 3.400407 0.910002 -0.872120
H 3.589552 -0.868660 -0.773305
H -8.436744 1.948004 -1.582423
H -6.754462 2.141359 -0.925923
H -9.387255 1.834180 0.693230
H -7.996207 2.940430 1.044107
H 4.234252 -0.723636 1.612809
H 4.076069 1.054627 1.589958
H 1.605008 0.827983 0.890646
H 1.797750 -0.944157 1.016501
H -5.201595 0.000181 1.640527
H -8.875231 -1.360743 0.883285
H -7.522827 -1.648797 2.062432
H 1.347446 -0.504213 -1.709027
H -5.292621 -0.376912 -1.436711
H -0.506420 0.095373 1.470957
H -0.779566 -0.600793 -2.826581
H -2.965763 0.116636 1.622735
H -3.258605 -0.592673 -2.653768
H 8.403162 2.140612 -0.152255
H 6.201298 3.463647 -0.131631
H 6.695778 3.200252 1.567290
H 5.034861 2.816753 1.045985
H 10.293638 0.857201 -0.927884
H 10.074238 -0.877402 -1.133968


