%chk=000219864.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000219864

0 1
Cl 4.256600 2.938621 -0.649542
N -2.417811 0.862870 0.112580
N -1.284218 -1.349788 -0.281073
N 2.285079 0.882116 0.239893
N -1.975370 2.149766 0.371952
N 1.153255 -1.196725 -0.186017
C -0.140904 0.810221 0.167769
C -1.318194 -0.001802 -0.020694
C 1.117166 0.146218 0.069597
C -0.035694 -1.885463 -0.346773
C -3.829879 0.582793 0.009594
C -0.631188 2.139812 0.408680
C 0.081106 -3.364204 -0.618469
C 3.625602 0.398644 0.122338
C -4.279356 -0.745418 -0.069603
C -4.743761 1.654553 -0.008299
C 0.046555 -4.149772 0.689800
C 4.642096 1.301905 -0.263539
C 3.987393 -0.927405 0.421858
C -5.650860 -0.992527 -0.170010
C -6.108279 1.382900 -0.106719
C -6.566461 0.063123 -0.188515
C 5.976021 0.902959 -0.347352
C 5.321980 -1.325411 0.329875
C 6.317062 -0.418894 -0.050583
H -0.049811 3.029414 0.597287
H -0.749027 -3.688626 -1.284302
H 1.025809 -3.571675 -1.168333
H 2.170052 1.893506 0.364318
H -3.578048 -1.585501 -0.058752
H -4.391365 2.686353 0.056617
H -0.891175 -3.979346 1.235484
H 0.129127 -5.226698 0.502293
H 0.872929 -3.863492 1.352947
H 3.223352 -1.654118 0.717377
H -6.004087 -2.021757 -0.233897
H -6.820209 2.208009 -0.120585
H -7.632720 -0.139694 -0.266434
H 6.742307 1.619556 -0.647245
H 5.588208 -2.357912 0.560188
H 7.355123 -0.740413 -0.117609


%chk=000219864-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000219864

0 1
Cl 4.169661 3.090702 0.273767
N -2.427978 0.849674 -0.030257
N -1.367177 -1.390719 -0.244143
N 2.267236 0.773929 0.030064
N -1.979907 2.179166 0.109287
N 1.078329 -1.294764 -0.195310
C -0.164552 0.770085 -0.006062
C -1.347196 -0.029481 -0.103222
C 1.081684 0.061259 -0.057228
C -0.128785 -1.958643 -0.283182
C -3.841133 0.595851 -0.073621
C -0.626936 2.120178 0.122645
C -0.052348 -3.464337 -0.399691
C 3.610459 0.337815 0.015316
C -4.330054 -0.727833 -0.209163
C -4.735695 1.690850 0.021517
C 0.273949 -4.126859 0.965583
C 4.641050 1.315548 0.123213
C 4.014838 -1.022520 -0.098654
C -5.724238 -0.943481 -0.248575
C -6.124595 1.453704 -0.019900
C -6.628461 0.138660 -0.154934
C 6.004268 0.989398 0.121831
C 5.383274 -1.360677 -0.100774
C 6.383507 -0.368419 0.008505
H -0.067399 3.049249 0.224492
H -1.020135 -3.834433 -0.777587
H 0.735638 -3.724803 -1.129445
H 2.162266 1.789610 0.122043
H -3.624485 -1.558614 -0.281143
H -4.333652 2.700769 0.125457
H -0.514728 -3.905783 1.706667
H 0.344765 -5.223564 0.854182
H 1.235503 -3.753717 1.360310
H 3.230675 -1.776580 -0.184150
H -6.102035 -1.966595 -0.353300
H -6.814944 2.301206 0.053753
H -7.708888 -0.038565 -0.186400
H 6.754391 1.780596 0.207679
H 5.667755 -2.414525 -0.189635
H 7.444481 -0.636638 0.006167


