%chk=000211348.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000211348

0 1
Cl 5.864634 -2.839584 0.027344
N -4.379795 -0.650963 -0.413985
N -0.895261 1.637026 1.011951
N 0.033893 0.581343 0.771831
N 3.618084 1.530658 -1.315352
C -3.907277 0.571743 -1.146174
C -2.449261 0.898102 -0.784850
C -2.289385 1.137668 0.723203
C -5.877185 -0.758264 -0.460248
C -3.730516 -1.890038 -0.961604
C -6.507832 0.263414 0.487745
C -3.864049 -3.040052 0.037849
C -0.797062 2.131993 2.425139
C 1.241265 0.947085 0.135330
C 2.337439 -0.000722 0.142073
C 3.503167 0.343745 -0.606529
C 1.383102 2.133146 -0.578279
C 2.314419 -1.246303 0.839992
C 2.583120 2.378190 -1.288855
C 4.620372 -0.558019 -0.641050
C 3.385965 -2.103268 0.803315
C 4.536536 -1.735363 0.050312
H -3.999558 0.475605 -2.249914
H -4.558678 1.425156 -0.851527
H -2.117248 1.792017 -1.348978
H -1.776724 0.075945 -1.107281
H -2.556342 0.211974 1.280113
H -2.997245 1.926575 1.057950
H -6.286846 -0.633211 -1.485696
H -6.162092 -1.782757 -0.128779
H -4.140523 -2.191182 -1.949445
H -2.648484 -1.671702 -1.120642
H 0.104469 -0.145388 1.497383
H -7.586029 0.098737 0.580832
H -6.353163 1.292541 0.144722
H -6.066706 0.188943 1.490617
H -3.259902 -3.899358 -0.270246
H -4.901983 -3.377516 0.139174
H -3.530360 -2.730844 1.037028
H -1.087458 1.408226 3.199267
H -1.445129 3.019424 2.521169
H 0.232748 2.471628 2.625508
H 0.577941 2.866993 -0.599420
H 1.423952 -1.520340 1.408120
H 2.700438 3.310169 -1.858556
H 5.501966 -0.273896 -1.220818
H 3.374984 -3.054875 1.332761


%chk=000211348-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000211348

0 1
Cl 4.735939 -3.776284 -0.021077
N -3.941321 -0.690386 -0.518634
N -1.058363 2.147144 1.037734
N -0.195048 1.015917 0.973469
N 3.441352 1.087385 -1.290782
C -3.858887 0.645386 -1.173591
C -2.537450 1.380425 -0.852248
C -2.447010 1.768422 0.632801
C -5.341906 -1.117969 -0.247014
C -3.162948 -1.728057 -1.253445
C -5.974693 -0.391366 0.955248
C -2.683665 -2.875628 -0.344229
C -0.994160 2.786002 2.380170
C 0.979998 1.034835 0.236311
C 1.841370 -0.136559 0.200589
C 3.060994 -0.044583 -0.579552
C 1.380331 2.173357 -0.494534
C 1.552733 -1.361325 0.882744
C 2.596733 2.141834 -1.226243
C 3.941178 -1.175225 -0.636800
C 2.419725 -2.456538 0.817185
C 3.612612 -2.337588 0.050076
H -3.976137 0.563665 -2.282481
H -4.707292 1.258910 -0.815827
H -2.451460 2.284776 -1.484206
H -1.678557 0.732230 -1.107376
H -2.826822 0.916788 1.248245
H -3.088291 2.645844 0.840770
H -5.989004 -0.987301 -1.151676
H -5.325404 -2.201673 -0.030217
H -3.752608 -2.143080 -2.109456
H -2.276423 -1.238962 -1.696813
H -0.456441 0.184603 1.517834
H -6.998471 -0.768090 1.137403
H -6.046671 0.699331 0.791202
H -5.369581 -0.560922 1.863251
H -2.102013 -3.613998 -0.926693
H -3.528284 -3.409464 0.127860
H -2.040807 -2.478714 0.461856
H -1.390288 2.133588 3.194485
H -1.586104 3.717379 2.359741
H 0.053526 3.040201 2.608509
H 0.748435 3.063530 -0.488487
H 0.638401 -1.475954 1.477635
H 2.902396 3.030469 -1.792513
H 4.853723 -1.079035 -1.230109
H 2.193063 -3.388919 1.341385


