%chk=000240349.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000240349

0 1
Cl 4.481107 2.344869 0.000622
O 0.391044 -0.988177 -0.000485
N -0.367155 1.215518 0.000626
N 1.945336 0.744157 0.000506
C -4.284614 -1.914869 0.000043
C -3.703758 -0.512107 -0.000066
C -2.316541 -0.313942 0.000292
C -1.785212 0.981986 0.000174
C -2.646660 2.112602 -0.000321
C -4.557999 0.597510 -0.000534
C -3.861283 -2.667895 1.267174
C -3.860730 -2.668293 -1.266667
C -4.027730 1.889991 -0.000656
C -2.126907 3.515203 -0.000498
C 0.622808 0.205913 0.000285
C 3.136585 -0.036789 -0.000027
C 4.389079 0.619815 -0.000009
C 3.125576 -1.445714 -0.000564
C 5.587118 -0.095847 -0.000496
C 4.324212 -2.156717 -0.001052
C 5.555896 -1.491267 -0.001019
H -5.403587 -1.844183 -0.000209
H -1.652491 -1.186429 0.000644
H -5.636982 0.460555 -0.000810
H -2.775192 -2.817068 1.307939
H -4.328416 -3.656918 1.314727
H -4.146838 -2.117613 2.170640
H -4.145963 -2.118334 -2.170431
H -4.327771 -3.657366 -1.314074
H -2.774609 -2.817396 -1.306954
H -4.707071 2.742636 -0.001030
H -0.080800 2.195558 0.000995
H -1.523585 3.725934 0.893354
H -1.522836 3.725426 -0.893965
H -2.941513 4.254477 -0.001053
H 2.066538 1.760075 0.001058
H 2.170922 -1.987721 -0.000613
H 6.539285 0.437206 -0.000472
H 4.297575 -3.247565 -0.001467
H 6.485061 -2.057322 -0.001406


%chk=000240349-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000240349

0 1
Cl 4.260306 2.537355 0.000230
O 0.412652 -1.180299 -0.001496
N -0.350063 1.055885 -0.001574
N 1.935402 0.625045 -0.001493
C -4.450850 -1.892620 0.000463
C -3.793694 -0.509330 0.000228
C -2.383030 -0.387513 -0.000554
C -1.767198 0.887417 -0.000782
C -2.559429 2.080804 -0.000225
C -4.580258 0.666392 0.000786
C -4.087743 -2.697715 1.276962
C -4.089374 -2.697362 -1.276724
C -3.963166 1.937534 0.000552
C -1.919210 3.460092 -0.000466
C 0.640282 0.064781 -0.002313
C 3.168885 -0.062261 -0.000705
C 4.373736 0.695688 0.000155
C 3.296559 -1.480769 -0.000750
C 5.647203 0.109674 0.000937
C 4.572154 -2.080544 0.000038
C 5.750552 -1.300547 0.000883
H -5.549204 -1.738256 0.001185
H -1.743590 -1.272443 -0.001016
H -5.673950 0.590165 0.001400
H -3.000436 -2.891004 1.326268
H -4.606377 -3.674605 1.279854
H -4.375550 -2.148595 2.191563
H -4.378356 -2.147990 -2.190802
H -4.608007 -3.674253 -1.279223
H -3.002130 -2.890628 -1.327478
H -4.584099 2.841525 0.000984
H -0.038800 2.028841 -0.001471
H -1.289316 3.633522 0.896338
H -1.290207 3.633616 -0.897875
H -2.693711 4.244454 -0.000037
H 2.030029 1.645804 -0.001271
H 2.383631 -2.078473 -0.001419
H 6.539091 0.742472 0.001575
H 4.641324 -3.173500 -0.000018
H 6.737843 -1.772458 0.001489


